id	sid	tid	token	lemma	pos
eurjchem-827	1	1	untitled	untitle	VERB
eurjchem-827	1	2	european	european	PROPN
eurjchem-827	1	3	journal	journal	PROPN
eurjchem-827	1	4	of	of	ADP
eurjchem-827	1	5	chemistry	chemistry	NOUN
eurjchem-827	1	6	4	4	NUM
eurjchem-827	1	7	(	(	PUNCT
eurjchem-827	1	8	3	3	NUM
eurjchem-827	1	9	)	)	PUNCT
eurjchem-827	1	10	(	(	PUNCT
eurjchem-827	1	11	2013	2013	NUM
eurjchem-827	1	12	)	)	PUNCT
eurjchem-827	1	13	285‐291	285‐291	NUM
eurjchem-827	1	14	european	european	ADJ
eurjchem-827	1	15	journal	journal	PROPN
eurjchem-827	1	16	of	of	ADP
eurjchem-827	1	17	chemistry	chemistry	NOUN
eurjchem-827	1	18	issn	issn	PROPN
eurjchem-827	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-827	1	20	(	(	PUNCT
eurjchem-827	1	21	print	print	NOUN
eurjchem-827	1	22	)	)	PUNCT
eurjchem-827	1	23	/	/	SYM
eurjchem-827	1	24	issn	issn	PROPN
eurjchem-827	1	25	2153‐2257	2153‐2257	NUM
eurjchem-827	1	26	(	(	PUNCT
eurjchem-827	1	27	online	online	ADJ
eurjchem-827	1	28	)	)	PUNCT
eurjchem-827	1	29			NOUN
eurjchem-827	1	30	2013	2013	NUM
eurjchem-827	1	31	eurjchem	eurjchem	PROPN
eurjchem-827	1	32	doi:10.5155	doi:10.5155	PROPN
eurjchem-827	1	33	/	/	SYM
eurjchem-827	1	34	eurjchem.4.3.285‐291.827	eurjchem.4.3.285‐291.827	PROPN
eurjchem-827	1	35	european	european	PROPN
eurjchem-827	1	36	journal	journal	PROPN
eurjchem-827	1	37	of	of	ADP
eurjchem-827	1	38	chemistry	chemistry	PROPN
eurjchem-827	1	39	journal	journal	PROPN
eurjchem-827	1	40	homepage	homepage	NOUN
eurjchem-827	1	41	:	:	PUNCT
eurjchem-827	1	42	www.eurjchem.com	www.eurjchem.com	X
eurjchem-827	1	43	complexation	complexation	NOUN
eurjchem-827	1	44	of	of	ADP
eurjchem-827	1	45	manganese(ii	manganese(ii	NOUN
eurjchem-827	1	46	)	)	PUNCT
eurjchem-827	1	47	,	,	PUNCT
eurjchem-827	1	48	cobalt(ii	cobalt(ii	PROPN
eurjchem-827	1	49	)	)	PUNCT
eurjchem-827	1	50	,	,	PUNCT
eurjchem-827	1	51	nickel(ii	nickel(ii	ADJ
eurjchem-827	1	52	)	)	PUNCT
eurjchem-827	1	53	and	and	CCONJ
eurjchem-827	1	54	copper(ii	copper(ii	PROPN
eurjchem-827	1	55	)	)	PUNCT
eurjchem-827	1	56	by	by	ADP
eurjchem-827	1	57	a	a	DET
eurjchem-827	1	58	ligand	ligand	NOUN
eurjchem-827	1	59	derived	derive	VERB
eurjchem-827	1	60	from	from	ADP
eurjchem-827	1	61	1,2,4‐triazole	1,2,4‐triazole	NUM
eurjchem-827	1	62	:	:	PUNCT
eurjchem-827	1	63	potentiometric	potentiometric	ADJ
eurjchem-827	1	64	studies	study	NOUN
eurjchem-827	1	65	and	and	CCONJ
eurjchem-827	1	66	density	density	NOUN
eurjchem-827	1	67	functional	functional	ADJ
eurjchem-827	1	68	theory	theory	NOUN
eurjchem-827	1	69	calculations	calculation	NOUN
eurjchem-827	1	70	nawel	nawel	PROPN
eurjchem-827	1	71	lechani	lechani	PROPN
eurjchem-827	1	72	a	a	PROPN
eurjchem-827	1	73	,	,	PUNCT
eurjchem-827	1	74	maamar	maamar	PROPN
eurjchem-827	1	75	hamdi	hamdi	PROPN
eurjchem-827	1	76	a	a	PROPN
eurjchem-827	1	77	,	,	PUNCT
eurjchem-827	1	78	fahima	fahima	PROPN
eurjchem-827	1	79	aklil	aklil	PROPN
eurjchem-827	1	80	b	b	PROPN
eurjchem-827	1	81	,	,	PUNCT
eurjchem-827	1	82	samia	samia	PROPN
eurjchem-827	1	83	khabouche	khabouche	PROPN
eurjchem-827	1	84	b	b	PROPN
eurjchem-827	1	85	,	,	PUNCT
eurjchem-827	1	86	ouassini	ouassini	PROPN
eurjchem-827	1	87	benali	benali	PROPN
eurjchem-827	1	88	baitich	baitich	PROPN
eurjchem-827	1	89	b	b	PROPN
eurjchem-827	1	90	,	,	PUNCT
eurjchem-827	1	91	*	*	ADJ
eurjchem-827	1	92	,	,	PUNCT
eurjchem-827	2	1	djaffar	djaffar	ADJ
eurjchem-827	2	2	kheffache	kheffache	PROPN
eurjchem-827	2	3	c	c	X
eurjchem-827	2	4	,	,	PUNCT
eurjchem-827	2	5	sofiane	sofiane	PROPN
eurjchem-827	2	6	moussi	moussi	PROPN
eurjchem-827	2	7	c	c	PROPN
eurjchem-827	2	8	and	and	CCONJ
eurjchem-827	2	9	ourida	ourida	PROPN
eurjchem-827	3	1	ouamerali	ouamerali	PROPN
eurjchem-827	3	2	c	c	PROPN
eurjchem-827	3	3	a	a	DET
eurjchem-827	3	4	laboratoire	laboratoire	PROPN
eurjchem-827	3	5	de	de	X
eurjchem-827	3	6	chimie	chimie	X
eurjchem-827	3	7	organique	organique	PROPN
eurjchem-827	3	8	appliquée	appliquée	PROPN
eurjchem-827	3	9	,	,	PUNCT
eurjchem-827	3	10	faculté	faculté	PROPN
eurjchem-827	3	11	de	de	X
eurjchem-827	3	12	chimie	chimie	PROPN
eurjchem-827	3	13	,	,	PUNCT
eurjchem-827	3	14	usthb	usthb	ADJ
eurjchem-827	3	15	,	,	PUNCT
eurjchem-827	3	16	bp32	bp32	PROPN
eurjchem-827	3	17	,	,	PUNCT
eurjchem-827	3	18	el	el	PROPN
eurjchem-827	3	19	alia	alia	PROPN
eurjchem-827	3	20	,	,	PUNCT
eurjchem-827	3	21	bab	bab	PROPN
eurjchem-827	3	22	ezzouar	ezzouar	PROPN
eurjchem-827	3	23	,	,	PUNCT
eurjchem-827	3	24	algeria	algeria	PROPN
eurjchem-827	3	25	b	b	PROPN
eurjchem-827	3	26	laboratoire	laboratoire	PROPN
eurjchem-827	3	27	d’hydrométallurgie	d’hydrométallurgie	NOUN
eurjchem-827	3	28	et	et	NOUN
eurjchem-827	3	29	chimie	chimie	X
eurjchem-827	3	30	inorganique	inorganique	ADJ
eurjchem-827	3	31	moléculaire	moléculaire	NOUN
eurjchem-827	3	32	,	,	PUNCT
eurjchem-827	3	33	faculté	faculté	PROPN
eurjchem-827	3	34	de	de	X
eurjchem-827	3	35	chimie	chimie	X
eurjchem-827	3	36	usthb	usthb	ADJ
eurjchem-827	3	37	,	,	PUNCT
eurjchem-827	3	38	bp32	bp32	PROPN
eurjchem-827	3	39	,	,	PUNCT
eurjchem-827	3	40	el	el	PROPN
eurjchem-827	3	41	alia	alia	PROPN
eurjchem-827	3	42	,	,	PUNCT
eurjchem-827	3	43	bab	bab	PROPN
eurjchem-827	3	44	ezzouar	ezzouar	PROPN
eurjchem-827	3	45	,	,	PUNCT
eurjchem-827	3	46	algeria	algeria	PROPN
eurjchem-827	3	47	c	c	PROPN
eurjchem-827	3	48	laboratoire	laboratoire	PROPN
eurjchem-827	3	49	de	de	X
eurjchem-827	3	50	chimie	chimie	PROPN
eurjchem-827	3	51	théorique	théorique	PROPN
eurjchem-827	3	52	computationnelle	computationnelle	PROPN
eurjchem-827	3	53	et	et	PROPN
eurjchem-827	3	54	photonique	photonique	NOUN
eurjchem-827	3	55	,	,	PUNCT
eurjchem-827	3	56	faculté	faculté	PROPN
eurjchem-827	3	57	de	de	X
eurjchem-827	3	58	chimie	chimie	PROPN
eurjchem-827	3	59	,	,	PUNCT
eurjchem-827	3	60	usthb	usthb	ADJ
eurjchem-827	3	61	,	,	PUNCT
eurjchem-827	3	62	bp	bp	PROPN
eurjchem-827	3	63	32	32	NUM
eurjchem-827	3	64	,	,	PUNCT
eurjchem-827	3	65	el	el	PROPN
eurjchem-827	3	66	alia	alia	PROPN
eurjchem-827	3	67	,	,	PUNCT
eurjchem-827	3	68	bab	bab	PROPN
eurjchem-827	3	69	ezzouar	ezzouar	PROPN
eurjchem-827	3	70	,	,	PUNCT
eurjchem-827	3	71	algeria	algeria	PROPN
eurjchem-827	3	72	*	*	PUNCT
eurjchem-827	3	73	corresponding	correspond	VERB
eurjchem-827	3	74	author	author	NOUN
eurjchem-827	3	75	at	at	ADP
eurjchem-827	3	76	:	:	PUNCT
eurjchem-827	3	77	laboratoire	laboratoire	X
eurjchem-827	3	78	d’hydrométallurgie	d’hydrométallurgie	NOUN
eurjchem-827	3	79	et	et	NOUN
eurjchem-827	3	80	chimie	chimie	X
eurjchem-827	3	81	inorganique	inorganique	ADJ
eurjchem-827	3	82	moléculaire	moléculaire	NOUN
eurjchem-827	3	83	,	,	PUNCT
eurjchem-827	3	84	faculté	faculté	PROPN
eurjchem-827	3	85	de	de	X
eurjchem-827	3	86	chimie	chimie	X
eurjchem-827	3	87	usthb	usthb	ADJ
eurjchem-827	3	88	,	,	PUNCT
eurjchem-827	3	89	bp32	bp32	PROPN
eurjchem-827	3	90	,	,	PUNCT
eurjchem-827	3	91	el	el	PROPN
eurjchem-827	3	92	alia	alia	PROPN
eurjchem-827	3	93	,	,	PUNCT
eurjchem-827	3	94	bab	bab	PROPN
eurjchem-827	3	95	ezzouar	ezzouar	PROPN
eurjchem-827	3	96	,	,	PUNCT
eurjchem-827	3	97	algeria	algeria	PROPN
eurjchem-827	3	98	.	.	PUNCT
eurjchem-827	4	1	tel	tel	PROPN
eurjchem-827	4	2	.	.	PUNCT
eurjchem-827	4	3	:	:	PUNCT
eurjchem-827	5	1	+213.776758928	+213.776758928	PROPN
eurjchem-827	5	2	;	;	PUNCT
eurjchem-827	5	3	fax	fax	NOUN
eurjchem-827	5	4	:	:	PUNCT
eurjchem-827	5	5	+213.21247311	+213.21247311	PROPN
eurjchem-827	5	6	.	.	PUNCT
eurjchem-827	5	7	e‐mail	e‐mail	PUNCT
eurjchem-827	6	1	address	address	NOUN
eurjchem-827	6	2	:	:	PUNCT
eurjchem-827	6	3	benali.baitich@gmail.com	benali.baitich@gmail.com	X
eurjchem-827	6	4	(	(	PUNCT
eurjchem-827	6	5	o.b	o.b	PROPN
eurjchem-827	6	6	.	.	PROPN
eurjchem-827	6	7	baitich	baitich	PROPN
eurjchem-827	6	8	)	)	PUNCT
eurjchem-827	6	9	.	.	PUNCT
eurjchem-827	7	1	article	article	NOUN
eurjchem-827	7	2	information	information	PROPN
eurjchem-827	7	3	abstract	abstract	ADV
eurjchem-827	7	4	received	receive	VERB
eurjchem-827	7	5	:	:	PUNCT
eurjchem-827	7	6	12	12	NUM
eurjchem-827	7	7	may	may	PROPN
eurjchem-827	7	8	2013	2013	NUM
eurjchem-827	7	9	accepted	accept	VERB
eurjchem-827	7	10	:	:	PUNCT
eurjchem-827	7	11	17	17	NUM
eurjchem-827	7	12	june	june	PROPN
eurjchem-827	7	13	2013	2013	NUM
eurjchem-827	7	14	online	online	NOUN
eurjchem-827	7	15	:	:	PUNCT
eurjchem-827	7	16	31	31	NUM
eurjchem-827	7	17	december	december	PROPN
eurjchem-827	7	18	2013	2013	NUM
eurjchem-827	7	19	keywords	keyword	NOUN
eurjchem-827	7	20	dft	dft	VERB
eurjchem-827	7	21	calculations	calculation	NOUN
eurjchem-827	7	22	have	have	AUX
eurjchem-827	7	23	been	be	AUX
eurjchem-827	7	24	conducted	conduct	VERB
eurjchem-827	7	25	to	to	PART
eurjchem-827	7	26	understand	understand	VERB
eurjchem-827	7	27	the	the	DET
eurjchem-827	7	28	conformational	conformational	ADJ
eurjchem-827	7	29	and	and	CCONJ
eurjchem-827	7	30	tautomeric	tautomeric	ADJ
eurjchem-827	7	31	preference	preference	NOUN
eurjchem-827	7	32	of	of	ADP
eurjchem-827	7	33	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	NUM
eurjchem-827	7	34	ligand	ligand	VERB
eurjchem-827	7	35	.	.	PUNCT
eurjchem-827	8	1	the	the	DET
eurjchem-827	8	2	results	result	NOUN
eurjchem-827	8	3	suggest	suggest	VERB
eurjchem-827	8	4	that	that	SCONJ
eurjchem-827	8	5	the	the	DET
eurjchem-827	8	6	thione	thione	NOUN
eurjchem-827	8	7	tautomer	tautomer	NOUN
eurjchem-827	8	8	is	be	AUX
eurjchem-827	8	9	found	find	VERB
eurjchem-827	8	10	to	to	PART
eurjchem-827	8	11	be	be	AUX
eurjchem-827	8	12	the	the	DET
eurjchem-827	8	13	most	most	ADV
eurjchem-827	8	14	stable	stable	ADJ
eurjchem-827	8	15	form	form	NOUN
eurjchem-827	8	16	in	in	ADP
eurjchem-827	8	17	the	the	DET
eurjchem-827	8	18	gas	gas	NOUN
eurjchem-827	8	19	phase	phase	NOUN
eurjchem-827	8	20	,	,	PUNCT
eurjchem-827	8	21	which	which	PRON
eurjchem-827	8	22	is	be	AUX
eurjchem-827	8	23	in	in	ADP
eurjchem-827	8	24	very	very	ADV
eurjchem-827	8	25	good	good	ADJ
eurjchem-827	8	26	agreement	agreement	NOUN
eurjchem-827	8	27	with	with	ADP
eurjchem-827	8	28	the	the	DET
eurjchem-827	8	29	ft‐ir	ft‐ir	NOUN
eurjchem-827	8	30	and	and	CCONJ
eurjchem-827	8	31	crystallographic	crystallographic	ADJ
eurjchem-827	8	32	data	datum	NOUN
eurjchem-827	8	33	.	.	PUNCT
eurjchem-827	9	1	the	the	DET
eurjchem-827	9	2	protonation	protonation	NOUN
eurjchem-827	9	3	constants	constant	NOUN
eurjchem-827	9	4	of	of	ADP
eurjchem-827	9	5	the	the	DET
eurjchem-827	9	6	ligand	ligand	NOUN
eurjchem-827	9	7	and	and	CCONJ
eurjchem-827	9	8	the	the	DET
eurjchem-827	9	9	stability	stability	NOUN
eurjchem-827	9	10	constants	constant	NOUN
eurjchem-827	9	11	of	of	ADP
eurjchem-827	9	12	its	its	PRON
eurjchem-827	9	13	complexes	complex	NOUN
eurjchem-827	9	14	with	with	ADP
eurjchem-827	9	15	mn(ii	mn(ii	PROPN
eurjchem-827	9	16	)	)	PUNCT
eurjchem-827	9	17	,	,	PUNCT
eurjchem-827	9	18	co(ii	co(ii	PROPN
eurjchem-827	9	19	)	)	PUNCT
eurjchem-827	9	20	,	,	PUNCT
eurjchem-827	9	21	ni(ii	ni(ii	PROPN
eurjchem-827	9	22	)	)	PUNCT
eurjchem-827	9	23	and	and	CCONJ
eurjchem-827	9	24	cu(ii	cu(ii	PROPN
eurjchem-827	9	25	)	)	PUNCT
eurjchem-827	9	26	have	have	AUX
eurjchem-827	9	27	been	be	AUX
eurjchem-827	9	28	determined	determine	VERB
eurjchem-827	9	29	by	by	ADP
eurjchem-827	9	30	potentiometry	potentiometry	NOUN
eurjchem-827	9	31	in	in	ADP
eurjchem-827	9	32	water‐ethanol	water‐ethanol	PROPN
eurjchem-827	9	33	(	(	PUNCT
eurjchem-827	9	34	90:10	90:10	NUM
eurjchem-827	9	35	,	,	PUNCT
eurjchem-827	9	36	v	v	NOUN
eurjchem-827	9	37	:	:	PUNCT
eurjchem-827	9	38	v	v	ADJ
eurjchem-827	9	39	)	)	PUNCT
eurjchem-827	9	40	mixture	mixture	NOUN
eurjchem-827	9	41	.	.	PUNCT
eurjchem-827	10	1	the	the	DET
eurjchem-827	10	2	absolute	absolute	ADJ
eurjchem-827	10	3	pka	pka	PROPN
eurjchem-827	10	4	values	value	NOUN
eurjchem-827	10	5	of	of	ADP
eurjchem-827	10	6	the	the	DET
eurjchem-827	10	7	ligand	ligand	NOUN
eurjchem-827	10	8	have	have	AUX
eurjchem-827	10	9	been	be	AUX
eurjchem-827	10	10	calculated	calculate	VERB
eurjchem-827	10	11	using	use	VERB
eurjchem-827	10	12	dft	dft	PROPN
eurjchem-827	10	13	method	method	NOUN
eurjchem-827	10	14	to	to	PART
eurjchem-827	10	15	complement	complement	VERB
eurjchem-827	10	16	and	and	CCONJ
eurjchem-827	10	17	help	help	VERB
eurjchem-827	10	18	the	the	DET
eurjchem-827	10	19	assignment	assignment	NOUN
eurjchem-827	10	20	of	of	ADP
eurjchem-827	10	21	potentiometric	potentiometric	ADJ
eurjchem-827	10	22	data	datum	NOUN
eurjchem-827	10	23	.	.	PUNCT
eurjchem-827	11	1	dft	dft	PROPN
eurjchem-827	11	2	calculations	calculation	NOUN
eurjchem-827	11	3	have	have	AUX
eurjchem-827	11	4	also	also	ADV
eurjchem-827	11	5	been	be	AUX
eurjchem-827	11	6	carried	carry	VERB
eurjchem-827	11	7	out	out	ADP
eurjchem-827	11	8	for	for	ADP
eurjchem-827	11	9	some	some	DET
eurjchem-827	11	10	metallic	metallic	ADJ
eurjchem-827	11	11	complexes	complex	NOUN
eurjchem-827	11	12	species	specie	NOUN
eurjchem-827	11	13	formed	form	VERB
eurjchem-827	11	14	in	in	ADP
eurjchem-827	11	15	solution	solution	NOUN
eurjchem-827	11	16	in	in	ADP
eurjchem-827	11	17	order	order	NOUN
eurjchem-827	11	18	to	to	PART
eurjchem-827	11	19	propose	propose	VERB
eurjchem-827	11	20	their	their	PRON
eurjchem-827	11	21	most	most	ADV
eurjchem-827	11	22	probable	probable	ADJ
eurjchem-827	11	23	structures	structure	NOUN
eurjchem-827	11	24	.	.	PUNCT
eurjchem-827	12	1	potentiometry	potentiometry	NOUN
eurjchem-827	12	2	dft	dft	PROPN
eurjchem-827	12	3	calculations	calculations	PROPN
eurjchem-827	12	4	stability	stability	NOUN
eurjchem-827	12	5	constants	constant	VERB
eurjchem-827	12	6	1,2,4‐triazole	1,2,4‐triazole	NUM
eurjchem-827	12	7	ligand	ligand	PROPN
eurjchem-827	12	8	dissociation	dissociation	NOUN
eurjchem-827	12	9	constants	constant	NOUN
eurjchem-827	12	10	thione‐thiol	thione‐thiol	PROPN
eurjchem-827	12	11	tautomerism	tautomerism	NOUN
eurjchem-827	12	12	1	1	NUM
eurjchem-827	12	13	.	.	PUNCT
eurjchem-827	12	14	introduction	introduction	NOUN
eurjchem-827	12	15	among	among	ADP
eurjchem-827	12	16	organic	organic	ADJ
eurjchem-827	12	17	compounds	compound	NOUN
eurjchem-827	12	18	,	,	PUNCT
eurjchem-827	12	19	which	which	PRON
eurjchem-827	12	20	can	can	AUX
eurjchem-827	12	21	serve	serve	VERB
eurjchem-827	12	22	as	as	ADP
eurjchem-827	12	23	ligands	ligand	NOUN
eurjchem-827	12	24	,	,	PUNCT
eurjchem-827	12	25	1,2,4‐triazole	1,2,4‐triazole	NUM
eurjchem-827	12	26	and	and	CCONJ
eurjchem-827	12	27	its	its	PRON
eurjchem-827	12	28	derivatives	derivative	NOUN
eurjchem-827	12	29	have	have	AUX
eurjchem-827	12	30	received	receive	VERB
eurjchem-827	12	31	much	much	ADJ
eurjchem-827	12	32	interest	interest	NOUN
eurjchem-827	12	33	because	because	SCONJ
eurjchem-827	12	34	of	of	ADP
eurjchem-827	12	35	their	their	PRON
eurjchem-827	12	36	many	many	ADJ
eurjchem-827	12	37	interesting	interesting	ADJ
eurjchem-827	12	38	features	feature	NOUN
eurjchem-827	12	39	[	[	X
eurjchem-827	12	40	1	1	NUM
eurjchem-827	12	41	]	]	PUNCT
eurjchem-827	12	42	.	.	PUNCT
eurjchem-827	13	1	the	the	DET
eurjchem-827	13	2	substituted	substitute	VERB
eurjchem-827	13	3	1,2,4‐triazoles	1,2,4‐triazoles	NUM
eurjchem-827	13	4	attracted	attract	VERB
eurjchem-827	13	5	more	more	ADJ
eurjchem-827	13	6	attention	attention	NOUN
eurjchem-827	13	7	than	than	ADP
eurjchem-827	13	8	the	the	DET
eurjchem-827	13	9	unsubstituted	unsubstituted	ADJ
eurjchem-827	13	10	one	one	NOUN
eurjchem-827	13	11	,	,	PUNCT
eurjchem-827	13	12	because	because	SCONJ
eurjchem-827	13	13	they	they	PRON
eurjchem-827	13	14	also	also	ADV
eurjchem-827	13	15	display	display	VERB
eurjchem-827	13	16	a	a	DET
eurjchem-827	13	17	broad	broad	ADJ
eurjchem-827	13	18	range	range	NOUN
eurjchem-827	13	19	of	of	ADP
eurjchem-827	13	20	biological	biological	ADJ
eurjchem-827	13	21	activity	activity	NOUN
eurjchem-827	13	22	,	,	PUNCT
eurjchem-827	13	23	finding	find	VERB
eurjchem-827	13	24	application	application	NOUN
eurjchem-827	13	25	as	as	ADP
eurjchem-827	13	26	antitumor	antitumor	PROPN
eurjchem-827	13	27	,	,	PUNCT
eurjchem-827	13	28	antibacterial	antibacterial	ADJ
eurjchem-827	13	29	,	,	PUNCT
eurjchem-827	13	30	antifungal	antifungal	ADJ
eurjchem-827	13	31	and	and	CCONJ
eurjchem-827	13	32	antiviral	antiviral	ADJ
eurjchem-827	13	33	agents	agent	NOUN
eurjchem-827	13	34	and	and	CCONJ
eurjchem-827	13	35	exhibit	exhibit	VERB
eurjchem-827	13	36	rich	rich	ADJ
eurjchem-827	13	37	coordination	coordination	NOUN
eurjchem-827	13	38	modes	mode	NOUN
eurjchem-827	13	39	,	,	PUNCT
eurjchem-827	13	40	leading	lead	VERB
eurjchem-827	13	41	to	to	ADP
eurjchem-827	13	42	new	new	ADJ
eurjchem-827	13	43	complexes	complex	NOUN
eurjchem-827	13	44	with	with	ADP
eurjchem-827	13	45	innovative	innovative	ADJ
eurjchem-827	13	46	structures	structure	NOUN
eurjchem-827	14	1	[	[	X
eurjchem-827	14	2	1‐7	1‐7	NOUN
eurjchem-827	14	3	]	]	PUNCT
eurjchem-827	14	4	.	.	PUNCT
eurjchem-827	15	1	previously	previously	ADV
eurjchem-827	15	2	,	,	PUNCT
eurjchem-827	15	3	the	the	DET
eurjchem-827	15	4	substituted	substitute	VERB
eurjchem-827	15	5	1,2,4‐triazole	1,2,4‐triazole	NOUN
eurjchem-827	15	6	,	,	PUNCT
eurjchem-827	15	7	4‐amino‐5‐(2‐	4‐amino‐5‐(2‐	NUM
eurjchem-827	15	8	hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	NOUN
eurjchem-827	15	9	,	,	PUNCT
eurjchem-827	15	10	is	be	AUX
eurjchem-827	15	11	synthesized	synthesize	VERB
eurjchem-827	15	12	but	but	CCONJ
eurjchem-827	15	13	insufficiently	insufficiently	ADV
eurjchem-827	15	14	characterized	characterize	VERB
eurjchem-827	15	15	[	[	X
eurjchem-827	15	16	8	8	NUM
eurjchem-827	15	17	]	]	PUNCT
eurjchem-827	15	18	.	.	PUNCT
eurjchem-827	16	1	this	this	DET
eurjchem-827	16	2	compound	compound	NOUN
eurjchem-827	16	3	contains	contain	VERB
eurjchem-827	16	4	the	the	DET
eurjchem-827	16	5	thioamide	thioamide	ADJ
eurjchem-827	16	6	group	group	NOUN
eurjchem-827	16	7	,	,	PUNCT
eurjchem-827	16	8	which	which	PRON
eurjchem-827	16	9	is	be	AUX
eurjchem-827	16	10	capable	capable	ADJ
eurjchem-827	16	11	of	of	ADP
eurjchem-827	16	12	undergoing	undergo	VERB
eurjchem-827	16	13	thione‐thiol	thione‐thiol	PROPN
eurjchem-827	16	14	(	(	PUNCT
eurjchem-827	16	15	hn‐c	hn‐c	NOUN
eurjchem-827	16	16	=	=	SYM
eurjchem-827	16	17	s	s	X
eurjchem-827	16	18	↔	↔	PROPN
eurjchem-827	16	19	n	n	CCONJ
eurjchem-827	16	20	=	=	NOUN
eurjchem-827	16	21	c‐sh	c‐sh	NOUN
eurjchem-827	16	22	)	)	PUNCT
eurjchem-827	16	23	tautomerism	tautomerism	NOUN
eurjchem-827	16	24	as	as	SCONJ
eurjchem-827	16	25	illustrated	illustrate	VERB
eurjchem-827	16	26	in	in	ADP
eurjchem-827	16	27	figure	figure	NOUN
eurjchem-827	16	28	1	1	NUM
eurjchem-827	16	29	.	.	PUNCT
eurjchem-827	16	30	figure	figure	NOUN
eurjchem-827	16	31	1	1	NUM
eurjchem-827	16	32	.	.	PUNCT
eurjchem-827	16	33	formula	formula	NOUN
eurjchem-827	16	34	of	of	ADP
eurjchem-827	16	35	the	the	DET
eurjchem-827	16	36	ligand	ligand	NOUN
eurjchem-827	16	37	and	and	CCONJ
eurjchem-827	16	38	its	its	PRON
eurjchem-827	16	39	tautomeric	tautomeric	ADJ
eurjchem-827	16	40	forms	form	NOUN
eurjchem-827	16	41	.	.	PUNCT
eurjchem-827	17	1	there	there	PRON
eurjchem-827	17	2	is	be	VERB
eurjchem-827	17	3	no	no	DET
eurjchem-827	17	4	data	datum	NOUN
eurjchem-827	17	5	concerning	concern	VERB
eurjchem-827	17	6	the	the	DET
eurjchem-827	17	7	structure	structure	NOUN
eurjchem-827	17	8	of	of	ADP
eurjchem-827	17	9	this	this	DET
eurjchem-827	17	10	ligand	ligand	NOUN
eurjchem-827	17	11	in	in	ADP
eurjchem-827	17	12	solution	solution	NOUN
eurjchem-827	17	13	,	,	PUNCT
eurjchem-827	17	14	but	but	CCONJ
eurjchem-827	17	15	an	an	DET
eurjchem-827	17	16	x‐ray	x‐ray	PROPN
eurjchem-827	17	17	diffraction	diffraction	NOUN
eurjchem-827	17	18	study	study	NOUN
eurjchem-827	17	19	reported	report	VERB
eurjchem-827	17	20	by	by	ADP
eurjchem-827	17	21	dinçer	dinçer	PROPN
eurjchem-827	17	22	et	et	PROPN
eurjchem-827	17	23	al	al	PROPN
eurjchem-827	17	24	.	.	PROPN
eurjchem-827	17	25	indicates	indicate	VERB
eurjchem-827	17	26	that	that	SCONJ
eurjchem-827	17	27	in	in	ADP
eurjchem-827	17	28	solid	solid	ADJ
eurjchem-827	17	29	state	state	NOUN
eurjchem-827	17	30	this	this	DET
eurjchem-827	17	31	compound	compound	NOUN
eurjchem-827	17	32	exists	exist	VERB
eurjchem-827	17	33	as	as	ADP
eurjchem-827	17	34	thionic	thionic	VERB
eurjchem-827	17	35	form	form	NOUN
eurjchem-827	17	36	[	[	X
eurjchem-827	17	37	9	9	NUM
eurjchem-827	17	38	]	]	PUNCT
eurjchem-827	17	39	.	.	PUNCT
eurjchem-827	18	1	given	give	VERB
eurjchem-827	18	2	the	the	DET
eurjchem-827	18	3	promising	promising	ADJ
eurjchem-827	18	4	properties	property	NOUN
eurjchem-827	18	5	of	of	ADP
eurjchem-827	18	6	this	this	DET
eurjchem-827	18	7	ligand	ligand	NOUN
eurjchem-827	18	8	,	,	PUNCT
eurjchem-827	18	9	it	it	PRON
eurjchem-827	18	10	is	be	AUX
eurjchem-827	18	11	of	of	ADP
eurjchem-827	18	12	interest	interest	NOUN
eurjchem-827	18	13	to	to	PART
eurjchem-827	18	14	study	study	VERB
eurjchem-827	18	15	its	its	PRON
eurjchem-827	18	16	acid‐base	acid‐base	NOUN
eurjchem-827	18	17	character	character	NOUN
eurjchem-827	18	18	.	.	PUNCT
eurjchem-827	19	1	indeed	indeed	ADV
eurjchem-827	19	2	,	,	PUNCT
eurjchem-827	19	3	it	it	PRON
eurjchem-827	19	4	has	have	AUX
eurjchem-827	19	5	been	be	AUX
eurjchem-827	19	6	generally	generally	ADV
eurjchem-827	19	7	recognized	recognize	VERB
eurjchem-827	19	8	that	that	SCONJ
eurjchem-827	19	9	the	the	DET
eurjchem-827	19	10	acid‐base	acid‐base	NOUN
eurjchem-827	19	11	character	character	NOUN
eurjchem-827	19	12	is	be	AUX
eurjchem-827	19	13	one	one	NUM
eurjchem-827	19	14	of	of	ADP
eurjchem-827	19	15	the	the	DET
eurjchem-827	19	16	important	important	ADJ
eurjchem-827	19	17	factors	factor	NOUN
eurjchem-827	19	18	that	that	PRON
eurjchem-827	19	19	governs	govern	VERB
eurjchem-827	19	20	the	the	DET
eurjchem-827	19	21	coordination	coordination	NOUN
eurjchem-827	19	22	behavior	behavior	NOUN
eurjchem-827	19	23	of	of	ADP
eurjchem-827	19	24	ligands	ligand	NOUN
eurjchem-827	19	25	.	.	PUNCT
eurjchem-827	20	1	in	in	ADP
eurjchem-827	20	2	this	this	DET
eurjchem-827	20	3	study	study	NOUN
eurjchem-827	20	4	,	,	PUNCT
eurjchem-827	20	5	the	the	DET
eurjchem-827	20	6	acidity	acidity	NOUN
eurjchem-827	20	7	constants	constant	NOUN
eurjchem-827	20	8	of	of	ADP
eurjchem-827	20	9	4‐amino‐5‐(2‐	4‐amino‐5‐(2‐	NUM
eurjchem-827	20	10	hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐trazole‐3‐thione	hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐trazole‐3‐thione	NOUN
eurjchem-827	20	11	were	be	AUX
eurjchem-827	20	12	determined	determine	VERB
eurjchem-827	20	13	by	by	ADP
eurjchem-827	20	14	potentiometric	potentiometric	ADJ
eurjchem-827	20	15	ph	ph	NOUN
eurjchem-827	20	16	titration	titration	NOUN
eurjchem-827	20	17	.	.	PUNCT
eurjchem-827	21	1	literature	literature	NOUN
eurjchem-827	21	2	survey	survey	NOUN
eurjchem-827	21	3	reveals	reveal	VERB
eurjchem-827	21	4	that	that	SCONJ
eurjchem-827	21	5	the	the	DET
eurjchem-827	21	6	biological	biological	ADJ
eurjchem-827	21	7	activities	activity	NOUN
eurjchem-827	21	8	of	of	ADP
eurjchem-827	21	9	ligands	ligand	NOUN
eurjchem-827	21	10	are	be	AUX
eurjchem-827	21	11	often	often	ADV
eurjchem-827	21	12	enhanced	enhance	VERB
eurjchem-827	21	13	after	after	ADP
eurjchem-827	21	14	coordination	coordination	NOUN
eurjchem-827	21	15	to	to	ADP
eurjchem-827	21	16	a	a	DET
eurjchem-827	21	17	metal	metal	NOUN
eurjchem-827	21	18	[	[	X
eurjchem-827	21	19	10,11	10,11	NOUN
eurjchem-827	21	20	]	]	PUNCT
eurjchem-827	21	21	.	.	PUNCT
eurjchem-827	22	1	therefore	therefore	ADV
eurjchem-827	22	2	this	this	DET
eurjchem-827	22	3	paper	paper	NOUN
eurjchem-827	22	4	reports	report	VERB
eurjchem-827	22	5	some	some	DET
eurjchem-827	22	6	potentiometric	potentiometric	ADJ
eurjchem-827	22	7	studies	study	NOUN
eurjchem-827	22	8	on	on	ADP
eurjchem-827	22	9	the	the	DET
eurjchem-827	22	10	coordination	coordination	NOUN
eurjchem-827	22	11	behavior	behavior	NOUN
eurjchem-827	22	12	of	of	ADP
eurjchem-827	22	13	the	the	DET
eurjchem-827	22	14	ligand	ligand	NOUN
eurjchem-827	22	15	towards	towards	ADP
eurjchem-827	22	16	essential	essential	ADJ
eurjchem-827	22	17	metal	metal	NOUN
eurjchem-827	22	18	(	(	PUNCT
eurjchem-827	22	19	ii	ii	NOUN
eurjchem-827	22	20	)	)	PUNCT
eurjchem-827	22	21	such	such	ADJ
eurjchem-827	22	22	as	as	ADP
eurjchem-827	22	23	manganese	manganese	NOUN
eurjchem-827	22	24	(	(	PUNCT
eurjchem-827	22	25	ii	ii	NOUN
eurjchem-827	22	26	)	)	PUNCT
eurjchem-827	22	27	,	,	PUNCT
eurjchem-827	22	28	cobalt	cobalt	NOUN
eurjchem-827	22	29	(	(	PUNCT
eurjchem-827	22	30	ii	ii	NOUN
eurjchem-827	22	31	)	)	PUNCT
eurjchem-827	22	32	,	,	PUNCT
eurjchem-827	22	33	nickel	nickel	NOUN
eurjchem-827	22	34	(	(	PUNCT
eurjchem-827	22	35	ii	ii	NOUN
eurjchem-827	22	36	)	)	PUNCT
eurjchem-827	22	37	and	and	CCONJ
eurjchem-827	22	38	copper	copper	NOUN
eurjchem-827	22	39	(	(	PUNCT
eurjchem-827	22	40	ii	ii	NOUN
eurjchem-827	22	41	)	)	PUNCT
eurjchem-827	22	42	ions	ion	NOUN
eurjchem-827	22	43	.	.	PUNCT
eurjchem-827	23	1	the	the	DET
eurjchem-827	23	2	presence	presence	NOUN
eurjchem-827	23	3	of	of	ADP
eurjchem-827	23	4	s	s	NOUN
eurjchem-827	23	5	=	=	ADJ
eurjchem-827	23	6	c	c	X
eurjchem-827	23	7	–	–	PUNCT
eurjchem-827	23	8	n	n	CCONJ
eurjchem-827	23	9	–	–	PUNCT
eurjchem-827	23	10	nh2	nh2	PROPN
eurjchem-827	23	11	(	(	PUNCT
eurjchem-827	23	12	see	see	VERB
eurjchem-827	23	13	figure	figure	NOUN
eurjchem-827	23	14	1	1	NUM
eurjchem-827	23	15	)	)	PUNCT
eurjchem-827	23	16	moiety	moiety	NOUN
eurjchem-827	23	17	in	in	ADP
eurjchem-827	23	18	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	NUM
eurjchem-827	23	19	3h‐1,2,4‐trazole‐3‐thione	3h‐1,2,4‐trazole‐3‐thione	NOUN
eurjchem-827	23	20	ligand	ligand	NOUN
eurjchem-827	23	21	allows	allow	VERB
eurjchem-827	23	22	a	a	DET
eurjchem-827	23	23	bidentate	bidentate	NOUN
eurjchem-827	23	24	coordination	coordination	NOUN
eurjchem-827	23	25	to	to	ADP
eurjchem-827	23	26	a	a	DET
eurjchem-827	23	27	metal	metal	NOUN
eurjchem-827	23	28	ion	ion	NOUN
eurjchem-827	23	29	through	through	ADP
eurjchem-827	23	30	the	the	DET
eurjchem-827	23	31	amine	amine	ADJ
eurjchem-827	23	32	and	and	CCONJ
eurjchem-827	23	33	thione	thione	ADJ
eurjchem-827	23	34	substituents	substituent	NOUN
eurjchem-827	23	35	providing	provide	VERB
eurjchem-827	23	36	a	a	DET
eurjchem-827	23	37	stable	stable	ADJ
eurjchem-827	23	38	five‐membered	five‐membere	VERB
eurjchem-827	23	39	ring	ring	NOUN
eurjchem-827	23	40	[	[	X
eurjchem-827	23	41	12	12	NUM
eurjchem-827	23	42	]	]	PUNCT
eurjchem-827	23	43	.	.	PUNCT
eurjchem-827	24	1	usually	usually	ADV
eurjchem-827	24	2	,	,	PUNCT
eurjchem-827	24	3	a	a	DET
eurjchem-827	24	4	variety	variety	NOUN
eurjchem-827	24	5	of	of	ADP
eurjchem-827	24	6	conformational	conformational	ADJ
eurjchem-827	24	7	changes	change	NOUN
eurjchem-827	24	8	are	be	AUX
eurjchem-827	24	9	required	require	VERB
eurjchem-827	24	10	to	to	PART
eurjchem-827	24	11	achieve	achieve	VERB
eurjchem-827	24	12	coordination	coordination	NOUN
eurjchem-827	24	13	,	,	PUNCT
eurjchem-827	24	14	and	and	CCONJ
eurjchem-827	24	15	this	this	PRON
eurjchem-827	24	16	is	be	AUX
eurjchem-827	24	17	often	often	ADV
eurjchem-827	24	18	greatly	greatly	ADV
eurjchem-827	24	19	influenced	influence	VERB
eurjchem-827	24	20	by	by	ADP
eurjchem-827	24	21	the	the	DET
eurjchem-827	24	22	electronic	electronic	ADJ
eurjchem-827	24	23	properties	property	NOUN
eurjchem-827	24	24	of	of	ADP
eurjchem-827	24	25	the	the	DET
eurjchem-827	24	26	metal	metal	NOUN
eurjchem-827	24	27	ion	ion	NOUN
eurjchem-827	24	28	[	[	X
eurjchem-827	24	29	13	13	NUM
eurjchem-827	24	30	]	]	PUNCT
eurjchem-827	24	31	.	.	PUNCT
eurjchem-827	25	1	thus	thus	ADV
eurjchem-827	25	2	it	it	PRON
eurjchem-827	25	3	is	be	AUX
eurjchem-827	25	4	worthwhile	worthwhile	ADJ
eurjchem-827	25	5	to	to	PART
eurjchem-827	25	6	study	study	VERB
eurjchem-827	25	7	the	the	DET
eurjchem-827	25	8	conformational	conformational	ADJ
eurjchem-827	25	9	preference	preference	NOUN
eurjchem-827	25	10	of	of	ADP
eurjchem-827	25	11	the	the	DET
eurjchem-827	25	12	free	free	ADJ
eurjchem-827	25	13	ligand	ligand	NOUN
eurjchem-827	25	14	taken	take	VERB
eurjchem-827	25	15	in	in	ADP
eurjchem-827	25	16	its	its	PRON
eurjchem-827	25	17	two	two	NUM
eurjchem-827	25	18	tautomeric	tautomeric	ADJ
eurjchem-827	25	19	forms	form	NOUN
eurjchem-827	25	20	by	by	ADP
eurjchem-827	25	21	quantum	quantum	ADJ
eurjchem-827	25	22	mechanics	mechanic	NOUN
eurjchem-827	25	23	density	density	NOUN
eurjchem-827	25	24	functional	functional	ADJ
eurjchem-827	25	25	theory	theory	NOUN
eurjchem-827	25	26	(	(	PUNCT
eurjchem-827	25	27	dft	dft	NOUN
eurjchem-827	25	28	)	)	PUNCT
eurjchem-827	25	29	calculations	calculation	NOUN
eurjchem-827	25	30	as	as	ADP
eurjchem-827	25	31	extensive	extensive	ADJ
eurjchem-827	25	32	literature	literature	NOUN
eurjchem-827	25	33	search	search	NOUN
eurjchem-827	25	34	shows	show	VERB
eurjchem-827	25	35	that	that	SCONJ
eurjchem-827	25	36	no	no	DET
eurjchem-827	25	37	such	such	ADJ
eurjchem-827	25	38	investigation	investigation	NOUN
eurjchem-827	25	39	has	have	AUX
eurjchem-827	25	40	been	be	AUX
eurjchem-827	25	41	previously	previously	ADV
eurjchem-827	25	42	reported	report	VERB
eurjchem-827	25	43	.	.	PUNCT
eurjchem-827	26	1	furthermore	furthermore	ADV
eurjchem-827	26	2	the	the	DET
eurjchem-827	26	3	pka	pka	PROPN
eurjchem-827	26	4	calculations	calculation	NOUN
eurjchem-827	26	5	were	be	AUX
eurjchem-827	26	6	performed	perform	VERB
eurjchem-827	26	7	using	use	VERB
eurjchem-827	26	8	dft	dft	PROPN
eurjchem-827	26	9	method	method	NOUN
eurjchem-827	26	10	to	to	PART
eurjchem-827	26	11	complement	complement	VERB
eurjchem-827	26	12	and	and	CCONJ
eurjchem-827	26	13	help	help	VERB
eurjchem-827	26	14	the	the	DET
eurjchem-827	26	15	analysis	analysis	NOUN
eurjchem-827	26	16	of	of	ADP
eurjchem-827	26	17	potentiometric	potentiometric	ADJ
eurjchem-827	26	18	data	datum	NOUN
eurjchem-827	26	19	.	.	PUNCT
eurjchem-827	27	1	indeed	indeed	ADV
eurjchem-827	27	2	,	,	PUNCT
eurjchem-827	27	3	the	the	DET
eurjchem-827	27	4	title	title	NOUN
eurjchem-827	27	5	compound	compound	NOUN
eurjchem-827	27	6	has	have	VERB
eurjchem-827	27	7	several	several	ADJ
eurjchem-827	27	8	potentially	potentially	ADV
eurjchem-827	27	9	protonatable	protonatable	ADJ
eurjchem-827	27	10	and	and	CCONJ
eurjchem-827	27	11	deprotonable	deprotonable	ADJ
eurjchem-827	27	12	sites	site	NOUN
eurjchem-827	27	13	,	,	PUNCT
eurjchem-827	27	14	then	then	ADV
eurjchem-827	27	15	measurement	measurement	NOUN
eurjchem-827	27	16	of	of	ADP
eurjchem-827	27	17	pka	pka	PROPN
eurjchem-827	27	18	value	value	NOUN
eurjchem-827	27	19	by	by	ADP
eurjchem-827	27	20	simple	simple	ADJ
eurjchem-827	27	21	titration	titration	NOUN
eurjchem-827	27	22	do	do	AUX
eurjchem-827	27	23	not	not	PART
eurjchem-827	27	24	provide	provide	VERB
eurjchem-827	27	25	clear	clear	ADJ
eurjchem-827	27	26	information	information	NOUN
eurjchem-827	27	27	about	about	ADP
eurjchem-827	27	28	the	the	DET
eurjchem-827	27	29	site	site	NOUN
eurjchem-827	27	30	of	of	ADP
eurjchem-827	27	31	protonation	protonation	NOUN
eurjchem-827	27	32	or	or	CCONJ
eurjchem-827	27	33	deprotonation	deprotonation	NOUN
eurjchem-827	27	34	.	.	PUNCT
eurjchem-827	28	1	in	in	ADP
eurjchem-827	28	2	the	the	DET
eurjchem-827	28	3	present	present	ADJ
eurjchem-827	28	4	study	study	NOUN
eurjchem-827	28	5	,	,	PUNCT
eurjchem-827	28	6	we	we	PRON
eurjchem-827	28	7	have	have	AUX
eurjchem-827	28	8	also	also	ADV
eurjchem-827	28	9	carried	carry	VERB
eurjchem-827	28	10	out	out	ADP
eurjchem-827	28	11	286	286	NUM
eurjchem-827	28	12	lechani	lechani	NOUN
eurjchem-827	28	13	et	et	PROPN
eurjchem-827	28	14	al	al	PROPN
eurjchem-827	28	15	.	.	PUNCT
eurjchem-827	28	16	/	/	SYM
eurjchem-827	28	17	european	european	PROPN
eurjchem-827	28	18	journal	journal	PROPN
eurjchem-827	28	19	of	of	ADP
eurjchem-827	28	20	chemistry	chemistry	NOUN
eurjchem-827	28	21	4	4	NUM
eurjchem-827	28	22	(	(	PUNCT
eurjchem-827	28	23	3	3	NUM
eurjchem-827	28	24	)	)	PUNCT
eurjchem-827	28	25	(	(	PUNCT
eurjchem-827	28	26	2013	2013	NUM
eurjchem-827	28	27	)	)	PUNCT
eurjchem-827	28	28	285‐291	285‐291	NUM
eurjchem-827	28	29	dft	dft	NOUN
eurjchem-827	28	30	calculations	calculation	NOUN
eurjchem-827	28	31	for	for	ADP
eurjchem-827	28	32	some	some	DET
eurjchem-827	28	33	metallic	metallic	ADJ
eurjchem-827	28	34	complexes	complex	NOUN
eurjchem-827	28	35	species	specie	NOUN
eurjchem-827	28	36	formed	form	VERB
eurjchem-827	28	37	in	in	ADP
eurjchem-827	28	38	solution	solution	NOUN
eurjchem-827	28	39	,	,	PUNCT
eurjchem-827	28	40	in	in	ADP
eurjchem-827	28	41	order	order	NOUN
eurjchem-827	28	42	to	to	PART
eurjchem-827	28	43	propose	propose	VERB
eurjchem-827	28	44	their	their	PRON
eurjchem-827	28	45	most	most	ADV
eurjchem-827	28	46	probable	probable	ADJ
eurjchem-827	28	47	structures	structure	NOUN
eurjchem-827	28	48	.	.	PUNCT
eurjchem-827	29	1	2	2	X
eurjchem-827	29	2	.	.	X
eurjchem-827	29	3	experimental	experimental	ADJ
eurjchem-827	29	4	2.1	2.1	NUM
eurjchem-827	29	5	.	.	PUNCT
eurjchem-827	29	6	reagents	reagent	NOUN
eurjchem-827	29	7	starting	start	VERB
eurjchem-827	29	8	materials	material	NOUN
eurjchem-827	29	9	for	for	ADP
eurjchem-827	29	10	the	the	DET
eurjchem-827	29	11	synthesis	synthesis	NOUN
eurjchem-827	29	12	of	of	ADP
eurjchem-827	29	13	the	the	DET
eurjchem-827	29	14	ligand	ligand	NOUN
eurjchem-827	29	15	were	be	AUX
eurjchem-827	29	16	purchased	purchase	VERB
eurjchem-827	29	17	from	from	ADP
eurjchem-827	29	18	fluka	fluka	NOUN
eurjchem-827	29	19	or	or	CCONJ
eurjchem-827	29	20	aldrich	aldrich	PROPN
eurjchem-827	29	21	and	and	CCONJ
eurjchem-827	29	22	were	be	AUX
eurjchem-827	29	23	used	use	VERB
eurjchem-827	29	24	without	without	ADP
eurjchem-827	29	25	purification	purification	NOUN
eurjchem-827	29	26	.	.	PUNCT
eurjchem-827	30	1	hexahydrated	hexahydrate	VERB
eurjchem-827	30	2	metal	metal	NOUN
eurjchem-827	30	3	chlorides	chloride	NOUN
eurjchem-827	30	4	were	be	AUX
eurjchem-827	30	5	obtained	obtain	VERB
eurjchem-827	30	6	from	from	ADP
eurjchem-827	30	7	merck	merck	NOUN
eurjchem-827	30	8	,	,	PUNCT
eurjchem-827	30	9	exact	exact	ADJ
eurjchem-827	30	10	concentrations	concentration	NOUN
eurjchem-827	30	11	of	of	ADP
eurjchem-827	30	12	metal	metal	NOUN
eurjchem-827	30	13	solutions	solution	NOUN
eurjchem-827	30	14	were	be	AUX
eurjchem-827	30	15	determined	determine	VERB
eurjchem-827	30	16	by	by	ADP
eurjchem-827	30	17	titration	titration	NOUN
eurjchem-827	30	18	with	with	ADP
eurjchem-827	30	19	edta	edta	PROPN
eurjchem-827	30	20	.	.	PUNCT
eurjchem-827	31	1	carbonate	carbonate	PROPN
eurjchem-827	31	2	free	free	ADJ
eurjchem-827	31	3	sodium	sodium	NOUN
eurjchem-827	31	4	hydroxide	hydroxide	NOUN
eurjchem-827	31	5	(	(	PUNCT
eurjchem-827	31	6	the	the	DET
eurjchem-827	31	7	titration	titration	NOUN
eurjchem-827	31	8	solution	solution	NOUN
eurjchem-827	31	9	0.1	0.1	NUM
eurjchem-827	31	10	m	m	VERB
eurjchem-827	31	11	)	)	PUNCT
eurjchem-827	31	12	was	be	AUX
eurjchem-827	31	13	prepared	prepare	VERB
eurjchem-827	31	14	and	and	CCONJ
eurjchem-827	31	15	standardized	standardize	VERB
eurjchem-827	31	16	against	against	ADP
eurjchem-827	31	17	a	a	DET
eurjchem-827	31	18	standard	standard	ADJ
eurjchem-827	31	19	hydrochloride	hydrochloride	NOUN
eurjchem-827	31	20	acid	acid	NOUN
eurjchem-827	31	21	solution	solution	NOUN
eurjchem-827	31	22	(	(	PUNCT
eurjchem-827	31	23	0.1	0.1	NUM
eurjchem-827	31	24	m	m	NOUN
eurjchem-827	31	25	)	)	PUNCT
eurjchem-827	31	26	.	.	PUNCT
eurjchem-827	32	1	2.2	2.2	NUM
eurjchem-827	32	2	.	.	PUNCT
eurjchem-827	32	3	synthesis	synthesis	NOUN
eurjchem-827	32	4	and	and	CCONJ
eurjchem-827	32	5	characterization	characterization	NOUN
eurjchem-827	32	6	of	of	ADP
eurjchem-827	32	7	the	the	DET
eurjchem-827	32	8	ligand	ligand	ADJ
eurjchem-827	32	9	multimode	multimode	NOUN
eurjchem-827	32	10	microwave	microwave	NOUN
eurjchem-827	32	11	reactor	reactor	NOUN
eurjchem-827	32	12	(	(	PUNCT
eurjchem-827	32	13	a	a	DET
eurjchem-827	32	14	modified	modify	VERB
eurjchem-827	32	15	microwave	microwave	NOUN
eurjchem-827	32	16	oven	oven	NOUN
eurjchem-827	32	17	candymga	candymga	PROPN
eurjchem-827	32	18	20	20	NUM
eurjchem-827	32	19	m	m	VERB
eurjchem-827	32	20	)	)	PUNCT
eurjchem-827	32	21	has	have	VERB
eurjchem-827	32	22	a	a	DET
eurjchem-827	32	23	single	single	ADJ
eurjchem-827	32	24	magnetron	magnetron	NOUN
eurjchem-827	32	25	(	(	PUNCT
eurjchem-827	32	26	2450	2450	NUM
eurjchem-827	32	27	mhz	mhz	NOUN
eurjchem-827	32	28	)	)	PUNCT
eurjchem-827	32	29	with	with	ADP
eurjchem-827	32	30	maximum	maximum	ADJ
eurjchem-827	32	31	delivered	deliver	VERB
eurjchem-827	32	32	power	power	NOUN
eurjchem-827	32	33	of	of	ADP
eurjchem-827	32	34	800	800	NUM
eurjchem-827	32	35	w.	w.	NOUN
eurjchem-827	32	36	melting	melting	NOUN
eurjchem-827	32	37	points	point	NOUN
eurjchem-827	32	38	were	be	AUX
eurjchem-827	32	39	determined	determine	VERB
eurjchem-827	32	40	on	on	ADP
eurjchem-827	32	41	a	a	DET
eurjchem-827	32	42	stuart	stuart	PROPN
eurjchem-827	32	43	scientific	scientific	ADJ
eurjchem-827	32	44	spm3	spm3	PROPN
eurjchem-827	32	45	apparatus	apparatus	NOUN
eurjchem-827	32	46	fitted	fit	VERB
eurjchem-827	32	47	with	with	ADP
eurjchem-827	32	48	a	a	DET
eurjchem-827	32	49	microscope	microscope	NOUN
eurjchem-827	32	50	and	and	CCONJ
eurjchem-827	32	51	are	be	AUX
eurjchem-827	32	52	uncorrected	uncorrecte	VERB
eurjchem-827	32	53	.	.	PUNCT
eurjchem-827	33	1	ir	ir	PROPN
eurjchem-827	33	2	spectra	spectra	PROPN
eurjchem-827	33	3	were	be	AUX
eurjchem-827	33	4	recorded	record	VERB
eurjchem-827	33	5	on	on	ADP
eurjchem-827	33	6	perkin	perkin	PROPN
eurjchem-827	33	7	elmer	elmer	PROPN
eurjchem-827	33	8	(	(	PUNCT
eurjchem-827	33	9	spectrum	spectrum	NOUN
eurjchem-827	33	10	one	one	NUM
eurjchem-827	33	11	)	)	PUNCT
eurjchem-827	33	12	ft	ft	PROPN
eurjchem-827	33	13	/	/	SYM
eurjchem-827	33	14	ir	ir	PROPN
eurjchem-827	33	15	fourier	fourier	NOUN
eurjchem-827	33	16	transform	transform	VERB
eurjchem-827	33	17	infrared	infrared	ADJ
eurjchem-827	33	18	spectrometer	spectrometer	NOUN
eurjchem-827	33	19	,	,	PUNCT
eurjchem-827	33	20	in	in	ADP
eurjchem-827	33	21	the	the	DET
eurjchem-827	33	22	range	range	NOUN
eurjchem-827	33	23	4000‐400	4000‐400	NUM
eurjchem-827	33	24	cm‐1	cm‐1	NOUN
eurjchem-827	33	25	,	,	PUNCT
eurjchem-827	33	26	using	use	VERB
eurjchem-827	33	27	kbr	kbr	PROPN
eurjchem-827	33	28	disks	disk	NOUN
eurjchem-827	33	29	.	.	PUNCT
eurjchem-827	34	1	electronic	electronic	ADJ
eurjchem-827	34	2	absorption	absorption	NOUN
eurjchem-827	34	3	spectra	spectra	NOUN
eurjchem-827	34	4	in	in	ADP
eurjchem-827	34	5	ethanol	ethanol	NOUN
eurjchem-827	34	6	solution	solution	NOUN
eurjchem-827	34	7	were	be	AUX
eurjchem-827	34	8	recorded	record	VERB
eurjchem-827	34	9	on	on	ADP
eurjchem-827	34	10	a	a	DET
eurjchem-827	34	11	uv‐visible	uv‐visible	ADJ
eurjchem-827	34	12	jasco	jasco	PROPN
eurjchem-827	34	13	v	v	NUM
eurjchem-827	34	14	560	560	NUM
eurjchem-827	34	15	spectrophotometer	spectrophotometer	NOUN
eurjchem-827	34	16	using	use	VERB
eurjchem-827	34	17	quartz	quartz	NOUN
eurjchem-827	34	18	cells	cell	NOUN
eurjchem-827	34	19	(	(	PUNCT
eurjchem-827	34	20	0.5	0.5	NUM
eurjchem-827	34	21	cm	cm	NOUN
eurjchem-827	34	22	)	)	PUNCT
eurjchem-827	34	23	in	in	ADP
eurjchem-827	34	24	the	the	DET
eurjchem-827	34	25	400‐200	400‐200	PROPN
eurjchem-827	34	26	nm	nm	NOUN
eurjchem-827	34	27	.	.	PUNCT
eurjchem-827	35	1	1h	1h	NUM
eurjchem-827	35	2	and	and	CCONJ
eurjchem-827	35	3	13c	13c	NOUN
eurjchem-827	35	4	nmr	nmr	NOUN
eurjchem-827	35	5	spectra	spectra	NOUN
eurjchem-827	35	6	were	be	AUX
eurjchem-827	35	7	recorded	record	VERB
eurjchem-827	35	8	in	in	ADP
eurjchem-827	35	9	dmso‐d6	dmso‐d6	PROPN
eurjchem-827	35	10	solutions	solution	NOUN
eurjchem-827	35	11	on	on	ADP
eurjchem-827	35	12	a	a	DET
eurjchem-827	35	13	bruker	bruker	ADJ
eurjchem-827	35	14	avance	avance	NOUN
eurjchem-827	35	15	300	300	NUM
eurjchem-827	35	16	(	(	PUNCT
eurjchem-827	35	17	300.13	300.13	NUM
eurjchem-827	35	18	mhz	mhz	NOUN
eurjchem-827	35	19	for	for	ADP
eurjchem-827	35	20	1h	1h	NUM
eurjchem-827	35	21	and	and	CCONJ
eurjchem-827	35	22	75.47	75.47	NUM
eurjchem-827	35	23	mhz	mhz	NOUN
eurjchem-827	35	24	for	for	ADP
eurjchem-827	35	25	13c	13c	NOUN
eurjchem-827	35	26	)	)	PUNCT
eurjchem-827	35	27	spectrometer	spectrometer	NOUN
eurjchem-827	35	28	.	.	PUNCT
eurjchem-827	36	1	chemical	chemical	ADJ
eurjchem-827	36	2	shifts	shift	NOUN
eurjchem-827	36	3	are	be	AUX
eurjchem-827	36	4	reported	report	VERB
eurjchem-827	36	5	in	in	ADP
eurjchem-827	36	6	ppm	ppm	PROPN
eurjchem-827	36	7	(	(	PUNCT
eurjchem-827	36	8	δ	δ	NOUN
eurjchem-827	36	9	)	)	PUNCT
eurjchem-827	36	10	using	use	VERB
eurjchem-827	36	11	tms	tms	PROPN
eurjchem-827	36	12	as	as	ADP
eurjchem-827	36	13	internal	internal	ADJ
eurjchem-827	36	14	reference	reference	NOUN
eurjchem-827	36	15	and	and	CCONJ
eurjchem-827	36	16	coupling	coupling	NOUN
eurjchem-827	36	17	constants	constant	NOUN
eurjchem-827	36	18	(	(	PUNCT
eurjchem-827	36	19	j	j	NOUN
eurjchem-827	36	20	)	)	PUNCT
eurjchem-827	36	21	are	be	AUX
eurjchem-827	36	22	given	give	VERB
eurjchem-827	36	23	in	in	ADP
eurjchem-827	36	24	hz	hz	PROPN
eurjchem-827	36	25	.	.	PUNCT
eurjchem-827	37	1	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐	NUM
eurjchem-827	37	2	trazole‐3‐thione	trazole‐3‐thione	NUM
eurjchem-827	37	3	was	be	AUX
eurjchem-827	37	4	prepared	prepare	VERB
eurjchem-827	37	5	following	follow	VERB
eurjchem-827	37	6	the	the	DET
eurjchem-827	37	7	reaction	reaction	NOUN
eurjchem-827	37	8	sequences	sequence	NOUN
eurjchem-827	37	9	depicted	depict	VERB
eurjchem-827	37	10	in	in	ADP
eurjchem-827	37	11	the	the	DET
eurjchem-827	37	12	following	follow	VERB
eurjchem-827	37	13	scheme	scheme	NOUN
eurjchem-827	37	14	1	1	NUM
eurjchem-827	37	15	.	.	PUNCT
eurjchem-827	37	16	scheme	scheme	NOUN
eurjchem-827	37	17	1	1	NUM
eurjchem-827	37	18	the	the	DET
eurjchem-827	37	19	2‐hydroxy	2‐hydroxy	NUM
eurjchem-827	37	20	benzohydrazide	benzohydrazide	NOUN
eurjchem-827	37	21	,	,	PUNCT
eurjchem-827	37	22	2	2	NUM
eurjchem-827	37	23	,	,	PUNCT
eurjchem-827	37	24	have	have	AUX
eurjchem-827	37	25	been	be	AUX
eurjchem-827	37	26	synthesized	synthesize	VERB
eurjchem-827	37	27	by	by	ADP
eurjchem-827	37	28	reaction	reaction	NOUN
eurjchem-827	37	29	of	of	ADP
eurjchem-827	37	30	methyl‐2‐hydroxybenzoate	methyl‐2‐hydroxybenzoate	PROPN
eurjchem-827	37	31	,	,	PUNCT
eurjchem-827	37	32	1	1	NUM
eurjchem-827	37	33	,	,	PUNCT
eurjchem-827	37	34	with	with	ADP
eurjchem-827	37	35	hydrazine	hydrazine	NOUN
eurjchem-827	37	36	hydrate	hydrate	NOUN
eurjchem-827	37	37	in	in	ADP
eurjchem-827	37	38	methanol	methanol	NOUN
eurjchem-827	37	39	.	.	PUNCT
eurjchem-827	38	1	this	this	DET
eurjchem-827	38	2	mixture	mixture	NOUN
eurjchem-827	38	3	was	be	AUX
eurjchem-827	38	4	heated	heat	VERB
eurjchem-827	38	5	in	in	ADP
eurjchem-827	38	6	the	the	DET
eurjchem-827	38	7	microwave	microwave	NOUN
eurjchem-827	38	8	for	for	ADP
eurjchem-827	38	9	20	20	NUM
eurjchem-827	38	10	min	min	NOUN
eurjchem-827	38	11	,	,	PUNCT
eurjchem-827	38	12	whilst	whilst	SCONJ
eurjchem-827	38	13	6	6	NUM
eurjchem-827	38	14	hours	hour	NOUN
eurjchem-827	38	15	were	be	AUX
eurjchem-827	38	16	required	require	VERB
eurjchem-827	38	17	by	by	ADP
eurjchem-827	38	18	conventional	conventional	ADJ
eurjchem-827	38	19	procedure	procedure	NOUN
eurjchem-827	38	20	.	.	PUNCT
eurjchem-827	39	1	the	the	DET
eurjchem-827	39	2	compound	compound	NOUN
eurjchem-827	39	3	3	3	NUM
eurjchem-827	39	4	is	be	AUX
eurjchem-827	39	5	obtained	obtain	VERB
eurjchem-827	39	6	in	in	ADP
eurjchem-827	39	7	excellent	excellent	ADJ
eurjchem-827	39	8	yield	yield	NOUN
eurjchem-827	39	9	and	and	CCONJ
eurjchem-827	39	10	its	its	PRON
eurjchem-827	39	11	physicochemical	physicochemical	ADJ
eurjchem-827	39	12	features	feature	NOUN
eurjchem-827	39	13	are	be	AUX
eurjchem-827	39	14	identical	identical	ADJ
eurjchem-827	39	15	to	to	ADP
eurjchem-827	39	16	those	those	DET
eurjchem-827	39	17	commercial	commercial	ADJ
eurjchem-827	39	18	product	product	NOUN
eurjchem-827	39	19	.	.	PUNCT
eurjchem-827	40	1	treatment	treatment	NOUN
eurjchem-827	40	2	of	of	ADP
eurjchem-827	40	3	3	3	NUM
eurjchem-827	40	4	with	with	ADP
eurjchem-827	40	5	an	an	DET
eurjchem-827	40	6	excess	excess	ADJ
eurjchem-827	40	7	amount	amount	NOUN
eurjchem-827	40	8	of	of	ADP
eurjchem-827	40	9	hydrazine	hydrazine	NOUN
eurjchem-827	40	10	gave	give	VERB
eurjchem-827	40	11	only	only	ADV
eurjchem-827	40	12	one	one	NUM
eurjchem-827	40	13	pure	pure	ADJ
eurjchem-827	40	14	product	product	NOUN
eurjchem-827	40	15	.	.	PUNCT
eurjchem-827	41	1	the	the	DET
eurjchem-827	41	2	analytical	analytical	ADJ
eurjchem-827	41	3	data	datum	NOUN
eurjchem-827	41	4	of	of	ADP
eurjchem-827	41	5	this	this	DET
eurjchem-827	41	6	product	product	NOUN
eurjchem-827	41	7	indicate	indicate	VERB
eurjchem-827	41	8	that	that	SCONJ
eurjchem-827	41	9	the	the	DET
eurjchem-827	41	10	reaction	reaction	NOUN
eurjchem-827	41	11	took	take	VERB
eurjchem-827	41	12	place	place	NOUN
eurjchem-827	41	13	with	with	ADP
eurjchem-827	41	14	keeping	keep	VERB
eurjchem-827	41	15	a	a	DET
eurjchem-827	41	16	phenol	phenol	ADJ
eurjchem-827	41	17	skeleton	skeleton	NOUN
eurjchem-827	41	18	.	.	PUNCT
eurjchem-827	42	1	its	its	PRON
eurjchem-827	42	2	mass	mass	ADJ
eurjchem-827	42	3	spectra	spectra	NOUN
eurjchem-827	42	4	[	[	X
eurjchem-827	42	5	molecular	molecular	ADJ
eurjchem-827	42	6	ion	ion	NOUN
eurjchem-827	42	7	at	at	ADP
eurjchem-827	42	8	m	m	PROPN
eurjchem-827	42	9	/	/	SYM
eurjchem-827	42	10	z	z	PROPN
eurjchem-827	42	11	209	209	NUM
eurjchem-827	42	12	(	(	PUNCT
eurjchem-827	42	13	m+h)+	m+h)+	NOUN
eurjchem-827	42	14	and	and	CCONJ
eurjchem-827	42	15	231	231	NUM
eurjchem-827	42	16	(	(	PUNCT
eurjchem-827	42	17	m+na)+	m+na)+	NOUN
eurjchem-827	42	18	]	]	PUNCT
eurjchem-827	42	19	indicate	indicate	VERB
eurjchem-827	42	20	the	the	DET
eurjchem-827	42	21	incorporation	incorporation	NOUN
eurjchem-827	42	22	of	of	ADP
eurjchem-827	42	23	on	on	ADP
eurjchem-827	42	24	hydrazine	hydrazine	NOUN
eurjchem-827	42	25	molecule	molecule	NOUN
eurjchem-827	42	26	.	.	PUNCT
eurjchem-827	43	1	elemental	elemental	ADJ
eurjchem-827	43	2	analysis	analysis	NOUN
eurjchem-827	43	3	indicates	indicate	VERB
eurjchem-827	43	4	a	a	DET
eurjchem-827	43	5	molecular	molecular	ADJ
eurjchem-827	43	6	formula	formula	NOUN
eurjchem-827	43	7	c8h8n4os	c8h8n4o	NOUN
eurjchem-827	43	8	,	,	PUNCT
eurjchem-827	43	9	compatible	compatible	ADJ
eurjchem-827	43	10	with	with	ADP
eurjchem-827	43	11	the	the	DET
eurjchem-827	43	12	structure	structure	NOUN
eurjchem-827	43	13	of	of	ADP
eurjchem-827	43	14	the	the	DET
eurjchem-827	43	15	expected	expect	VERB
eurjchem-827	43	16	product	product	NOUN
eurjchem-827	43	17	,	,	PUNCT
eurjchem-827	43	18	4‐amino‐5‐(2‐hydroxy	4‐amino‐5‐(2‐hydroxy	PROPN
eurjchem-827	43	19	phenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	phenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	NOUN
eurjchem-827	43	20	,	,	PUNCT
eurjchem-827	43	21	4	4	NUM
eurjchem-827	43	22	.	.	PUNCT
eurjchem-827	43	23	to	to	ADP
eurjchem-827	43	24	a	a	DET
eurjchem-827	43	25	solution	solution	NOUN
eurjchem-827	43	26	of	of	ADP
eurjchem-827	43	27	potassium	potassium	NOUN
eurjchem-827	43	28	2‐(2‐hydroxy	2‐(2‐hydroxy	PROPN
eurjchem-827	43	29	benzoyl	benzoyl	NOUN
eurjchem-827	43	30	)	)	PUNCT
eurjchem-827	43	31	hydrazinecarbadithionate	hydrazinecarbadithionate	VERB
eurjchem-827	43	32	3	3	NUM
eurjchem-827	43	33	(	(	PUNCT
eurjchem-827	43	34	10	10	NUM
eurjchem-827	43	35	mmol	mmol	NOUN
eurjchem-827	43	36	)	)	PUNCT
eurjchem-827	43	37	and	and	CCONJ
eurjchem-827	43	38	98	98	NUM
eurjchem-827	43	39	%	%	NOUN
eurjchem-827	43	40	hydrazine	hydrazine	NOUN
eurjchem-827	43	41	(	(	PUNCT
eurjchem-827	43	42	20	20	NUM
eurjchem-827	43	43	mmol	mmol	NOUN
eurjchem-827	43	44	)	)	PUNCT
eurjchem-827	43	45	was	be	AUX
eurjchem-827	43	46	added	add	VERB
eurjchem-827	43	47	water	water	NOUN
eurjchem-827	43	48	(	(	PUNCT
eurjchem-827	43	49	10	10	NUM
eurjchem-827	43	50	ml	ml	NOUN
eurjchem-827	43	51	)	)	PUNCT
eurjchem-827	43	52	.	.	PUNCT
eurjchem-827	44	1	this	this	DET
eurjchem-827	44	2	mixture	mixture	NOUN
eurjchem-827	44	3	was	be	AUX
eurjchem-827	44	4	heated	heat	VERB
eurjchem-827	44	5	by	by	ADP
eurjchem-827	44	6	micro	micro	ADJ
eurjchem-827	44	7	waves	wave	NOUN
eurjchem-827	44	8	with	with	ADP
eurjchem-827	44	9	a	a	DET
eurjchem-827	44	10	fixed	fix	VERB
eurjchem-827	44	11	power	power	NOUN
eurjchem-827	44	12	of	of	ADP
eurjchem-827	44	13	300	300	NUM
eurjchem-827	44	14	w	w	NOUN
eurjchem-827	44	15	for	for	ADP
eurjchem-827	44	16	5	5	NUM
eurjchem-827	44	17	min	min	NOUN
eurjchem-827	44	18	.	.	PROPN
eurjchem-827	45	1	after	after	ADP
eurjchem-827	45	2	this	this	DET
eurjchem-827	45	3	period	period	NOUN
eurjchem-827	45	4	,	,	PUNCT
eurjchem-827	45	5	50	50	NUM
eurjchem-827	45	6	g	g	NOUN
eurjchem-827	45	7	of	of	ADP
eurjchem-827	45	8	ice	ice	NOUN
eurjchem-827	45	9	was	be	AUX
eurjchem-827	45	10	added	add	VERB
eurjchem-827	45	11	to	to	ADP
eurjchem-827	45	12	the	the	DET
eurjchem-827	45	13	reaction	reaction	NOUN
eurjchem-827	45	14	mixture	mixture	NOUN
eurjchem-827	45	15	and	and	CCONJ
eurjchem-827	45	16	the	the	DET
eurjchem-827	45	17	white	white	ADJ
eurjchem-827	45	18	solid	solid	ADJ
eurjchem-827	45	19	was	be	AUX
eurjchem-827	45	20	precipitated	precipitate	VERB
eurjchem-827	45	21	by	by	ADP
eurjchem-827	45	22	acidification	acidification	NOUN
eurjchem-827	45	23	with	with	ADP
eurjchem-827	45	24	concentred	concentre	VERB
eurjchem-827	45	25	hydrochloric	hydrochloric	ADJ
eurjchem-827	45	26	acid	acid	NOUN
eurjchem-827	45	27	.	.	PUNCT
eurjchem-827	46	1	the	the	DET
eurjchem-827	46	2	precipitate	precipitate	NOUN
eurjchem-827	46	3	thus	thus	ADV
eurjchem-827	46	4	formed	form	VERB
eurjchem-827	46	5	was	be	AUX
eurjchem-827	46	6	collected	collect	VERB
eurjchem-827	46	7	by	by	ADP
eurjchem-827	46	8	filtration	filtration	NOUN
eurjchem-827	46	9	and	and	CCONJ
eurjchem-827	46	10	washed	wash	VERB
eurjchem-827	46	11	several	several	ADJ
eurjchem-827	46	12	times	time	NOUN
eurjchem-827	46	13	with	with	ADP
eurjchem-827	46	14	cold	cold	ADJ
eurjchem-827	46	15	water	water	NOUN
eurjchem-827	46	16	to	to	PART
eurjchem-827	46	17	eliminate	eliminate	VERB
eurjchem-827	46	18	acid	acid	NOUN
eurjchem-827	46	19	trace	trace	NOUN
eurjchem-827	46	20	.	.	PUNCT
eurjchem-827	47	1	white	white	PROPN
eurjchem-827	47	2	solid	solid	PROPN
eurjchem-827	47	3	obtained	obtain	VERB
eurjchem-827	47	4	was	be	AUX
eurjchem-827	47	5	recristallized	recristallize	VERB
eurjchem-827	47	6	with	with	ADP
eurjchem-827	47	7	ethanol	ethanol	NOUN
eurjchem-827	47	8	.	.	PUNCT
eurjchem-827	48	1	4‐amino‐5‐(2‐hydroxyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐	4‐amino‐5‐(2‐hydroxyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐	NUM
eurjchem-827	48	2	3‐thione	3‐thione	NOUN
eurjchem-827	48	3	(	(	PUNCT
eurjchem-827	48	4	4	4	NUM
eurjchem-827	48	5	):	):	PUNCT
eurjchem-827	48	6	yield	yield	NOUN
eurjchem-827	48	7	:	:	PUNCT
eurjchem-827	48	8	65	65	NUM
eurjchem-827	48	9	%	%	NOUN
eurjchem-827	48	10	.	.	PUNCT
eurjchem-827	49	1	m.p	m.p	PROPN
eurjchem-827	49	2	.	.	PROPN
eurjchem-827	49	3	:	:	PUNCT
eurjchem-827	50	1	205	205	NUM
eurjchem-827	50	2	°	°	SYM
eurjchem-827	50	3	c	c	X
eurjchem-827	50	4	.	.	PUNCT
eurjchem-827	51	1	ft‐ir	ft‐ir	NOUN
eurjchem-827	51	2	(	(	PUNCT
eurjchem-827	51	3	kbr	kbr	PROPN
eurjchem-827	51	4	,	,	PUNCT
eurjchem-827	51	5	ν	ν	PROPN
eurjchem-827	51	6	,	,	PUNCT
eurjchem-827	51	7	cm‐1	cm‐1	PROPN
eurjchem-827	51	8	):	):	PUNCT
eurjchem-827	51	9	3467	3467	NUM
eurjchem-827	51	10	(	(	PUNCT
eurjchem-827	51	11	o‐h	o‐h	PROPN
eurjchem-827	51	12	)	)	PUNCT
eurjchem-827	51	13	,	,	PUNCT
eurjchem-827	51	14	3293‐3197	3293‐3197	NUM
eurjchem-827	51	15	(	(	PUNCT
eurjchem-827	51	16	nh2	nh2	PROPN
eurjchem-827	51	17	)	)	PUNCT
eurjchem-827	51	18	,	,	PUNCT
eurjchem-827	51	19	1611	1611	NUM
eurjchem-827	51	20	(	(	PUNCT
eurjchem-827	51	21	c	c	NOUN
eurjchem-827	51	22	=	=	SYM
eurjchem-827	51	23	n	n	NUM
eurjchem-827	51	24	)	)	PUNCT
eurjchem-827	51	25	,	,	PUNCT
eurjchem-827	51	26	1302	1302	NUM
eurjchem-827	51	27	(	(	PUNCT
eurjchem-827	51	28	c	c	NOUN
eurjchem-827	51	29	=	=	SYM
eurjchem-827	51	30	s	s	NOUN
eurjchem-827	51	31	)	)	PUNCT
eurjchem-827	51	32	.	.	PUNCT
eurjchem-827	52	1	uv	uv	NOUN
eurjchem-827	52	2	(	(	PUNCT
eurjchem-827	52	3	ethanol	ethanol	NOUN
eurjchem-827	52	4	,	,	PUNCT
eurjchem-827	52	5	νmax	νmax	NOUN
eurjchem-827	52	6	,	,	PUNCT
eurjchem-827	52	7	nm	nm	PROPN
eurjchem-827	52	8	(	(	PUNCT
eurjchem-827	52	9	ε	ε	PROPN
eurjchem-827	52	10	)	)	PUNCT
eurjchem-827	52	11	):	):	PUNCT
eurjchem-827	52	12	340	340	NUM
eurjchem-827	52	13	(	(	PUNCT
eurjchem-827	52	14	1600	1600	NUM
eurjchem-827	52	15	)	)	PUNCT
eurjchem-827	52	16	,	,	PUNCT
eurjchem-827	52	17	318	318	NUM
eurjchem-827	52	18	(	(	PUNCT
eurjchem-827	52	19	8700	8700	NUM
eurjchem-827	52	20	)	)	PUNCT
eurjchem-827	52	21	,	,	PUNCT
eurjchem-827	52	22	290	290	NUM
eurjchem-827	52	23	(	(	PUNCT
eurjchem-827	52	24	11600	11600	NUM
eurjchem-827	52	25	)	)	PUNCT
eurjchem-827	52	26	,	,	PUNCT
eurjchem-827	52	27	252	252	NUM
eurjchem-827	52	28	(	(	PUNCT
eurjchem-827	52	29	23100	23100	NUM
eurjchem-827	52	30	)	)	PUNCT
eurjchem-827	52	31	.	.	PUNCT
eurjchem-827	53	1	1h	1h	NUM
eurjchem-827	53	2	nmr	nmr	NOUN
eurjchem-827	53	3	(	(	PUNCT
eurjchem-827	53	4	300	300	NUM
eurjchem-827	53	5	mhz	mhz	NOUN
eurjchem-827	53	6	,	,	PUNCT
eurjchem-827	53	7	dmso‐d6	dmso‐d6	PROPN
eurjchem-827	53	8	,	,	PUNCT
eurjchem-827	53	9	δ	δ	PROPN
eurjchem-827	53	10	,	,	PUNCT
eurjchem-827	53	11	ppm	ppm	NUM
eurjchem-827	53	12	):	):	PUNCT
eurjchem-827	53	13	5.6	5.6	NUM
eurjchem-827	53	14	(	(	PUNCT
eurjchem-827	53	15	s,2h	s,2h	PROPN
eurjchem-827	53	16	,	,	PUNCT
eurjchem-827	53	17	nh2	nh2	PROPN
eurjchem-827	53	18	)	)	PUNCT
eurjchem-827	53	19	,	,	PUNCT
eurjchem-827	53	20	6.69‐7.43	6.69‐7.43	NUM
eurjchem-827	53	21	(	(	PUNCT
eurjchem-827	53	22	m	m	PROPN
eurjchem-827	53	23	,	,	PUNCT
eurjchem-827	53	24	4h	4h	NUM
eurjchem-827	53	25	,	,	PUNCT
eurjchem-827	53	26	ph	ph	PROPN
eurjchem-827	53	27	)	)	PUNCT
eurjchem-827	53	28	,	,	PUNCT
eurjchem-827	53	29	10.39	10.39	NUM
eurjchem-827	53	30	(	(	PUNCT
eurjchem-827	53	31	br	br	PROPN
eurjchem-827	53	32	,	,	PUNCT
eurjchem-827	53	33	1h	1h	NUM
eurjchem-827	53	34	,	,	PUNCT
eurjchem-827	53	35	oh	oh	INTJ
eurjchem-827	53	36	)	)	PUNCT
eurjchem-827	53	37	,	,	PUNCT
eurjchem-827	53	38	13.85	13.85	NUM
eurjchem-827	53	39	(	(	PUNCT
eurjchem-827	53	40	s	s	PROPN
eurjchem-827	53	41	,	,	PUNCT
eurjchem-827	53	42	1h	1h	NUM
eurjchem-827	53	43	,	,	PUNCT
eurjchem-827	53	44	sh	sh	PROPN
eurjchem-827	53	45	)	)	PUNCT
eurjchem-827	53	46	.	.	PUNCT
eurjchem-827	54	1	13c	13c	NOUN
eurjchem-827	54	2	nmr	nmr	NOUN
eurjchem-827	54	3	(	(	PUNCT
eurjchem-827	54	4	75.5	75.5	NUM
eurjchem-827	54	5	mhz	mhz	NOUN
eurjchem-827	54	6	,	,	PUNCT
eurjchem-827	54	7	dmso‐d6	dmso‐d6	PROPN
eurjchem-827	54	8	,	,	PUNCT
eurjchem-827	54	9	δ	δ	PROPN
eurjchem-827	54	10	,	,	PUNCT
eurjchem-827	54	11	ppm	ppm	NOUN
eurjchem-827	54	12	):	):	PUNCT
eurjchem-827	54	13	113.4	113.4	NUM
eurjchem-827	54	14	(	(	PUNCT
eurjchem-827	54	15	c‐2	c‐2	NOUN
eurjchem-827	54	16	)	)	PUNCT
eurjchem-827	54	17	,	,	PUNCT
eurjchem-827	54	18	116.6	116.6	NUM
eurjchem-827	54	19	(	(	PUNCT
eurjchem-827	54	20	c‐6	c‐6	NOUN
eurjchem-827	54	21	)	)	PUNCT
eurjchem-827	54	22	,	,	PUNCT
eurjchem-827	54	23	119.5	119.5	NUM
eurjchem-827	54	24	(	(	PUNCT
eurjchem-827	54	25	c‐4	c‐4	PROPN
eurjchem-827	54	26	)	)	PUNCT
eurjchem-827	54	27	,	,	PUNCT
eurjchem-827	54	28	131.2	131.2	NUM
eurjchem-827	54	29	(	(	PUNCT
eurjchem-827	54	30	c‐3	c‐3	NOUN
eurjchem-827	54	31	)	)	PUNCT
eurjchem-827	54	32	,	,	PUNCT
eurjchem-827	54	33	132.6	132.6	NUM
eurjchem-827	54	34	(	(	PUNCT
eurjchem-827	54	35	c‐5	c‐5	NOUN
eurjchem-827	54	36	)	)	PUNCT
eurjchem-827	54	37	,	,	PUNCT
eurjchem-827	54	38	149.5	149.5	NUM
eurjchem-827	54	39	(	(	PUNCT
eurjchem-827	54	40	c‐5	c‐5	NOUN
eurjchem-827	54	41	,	,	PUNCT
eurjchem-827	54	42	triazolic	triazolic	NOUN
eurjchem-827	54	43	ring	ring	NOUN
eurjchem-827	54	44	)	)	PUNCT
eurjchem-827	54	45	,	,	PUNCT
eurjchem-827	54	46	156.4	156.4	NUM
eurjchem-827	54	47	(	(	PUNCT
eurjchem-827	54	48	c‐3	c‐3	PROPN
eurjchem-827	54	49	,	,	PUNCT
eurjchem-827	54	50	triazolic	triazolic	NOUN
eurjchem-827	54	51	ring	ring	NOUN
eurjchem-827	54	52	)	)	PUNCT
eurjchem-827	54	53	,	,	PUNCT
eurjchem-827	54	54	165.4	165.4	NUM
eurjchem-827	54	55	(	(	PUNCT
eurjchem-827	54	56	c‐1	c‐1	NOUN
eurjchem-827	54	57	)	)	PUNCT
eurjchem-827	54	58	;	;	PUNCT
eurjchem-827	54	59	dept	dept	VERB
eurjchem-827	54	60	135	135	NUM
eurjchem-827	54	61	δ	δ	PROPN
eurjchem-827	54	62	(	(	PUNCT
eurjchem-827	54	63	ppm	ppm	NOUN
eurjchem-827	54	64	)	)	PUNCT
eurjchem-827	54	65	phenolic	phenolic	NOUN
eurjchem-827	54	66	ring	ring	NOUN
eurjchem-827	54	67	:	:	PUNCT
eurjchem-827	54	68	116.6	116.6	NUM
eurjchem-827	54	69	(	(	PUNCT
eurjchem-827	54	70	c‐6	c‐6	NOUN
eurjchem-827	54	71	)	)	PUNCT
eurjchem-827	54	72	,	,	PUNCT
eurjchem-827	54	73	119.5	119.5	NUM
eurjchem-827	54	74	(	(	PUNCT
eurjchem-827	54	75	c‐4	c‐4	PROPN
eurjchem-827	54	76	)	)	PUNCT
eurjchem-827	54	77	,	,	PUNCT
eurjchem-827	54	78	131.2	131.2	NUM
eurjchem-827	54	79	(	(	PUNCT
eurjchem-827	54	80	c‐3	c‐3	NOUN
eurjchem-827	54	81	)	)	PUNCT
eurjchem-827	54	82	,	,	PUNCT
eurjchem-827	54	83	132.6	132.6	NUM
eurjchem-827	54	84	(	(	PUNCT
eurjchem-827	54	85	c‐5	c‐5	NOUN
eurjchem-827	54	86	)	)	PUNCT
eurjchem-827	54	87	.	.	PUNCT
eurjchem-827	55	1	anal	anal	PROPN
eurjchem-827	55	2	.	.	PUNCT
eurjchem-827	55	3	calcd	calcd	NOUN
eurjchem-827	55	4	.	.	PUNCT
eurjchem-827	56	1	for	for	SCONJ
eurjchem-827	56	2	c8h8n4os	c8h8n4os	PROPN
eurjchem-827	56	3	:	:	PUNCT
eurjchem-827	56	4	c	c	X
eurjchem-827	56	5	,	,	PUNCT
eurjchem-827	56	6	46.14	46.14	NUM
eurjchem-827	56	7	;	;	PUNCT
eurjchem-827	56	8	h	h	NOUN
eurjchem-827	56	9	,	,	PUNCT
eurjchem-827	56	10	3.87	3.87	NUM
eurjchem-827	56	11	;	;	PUNCT
eurjchem-827	56	12	n	n	CCONJ
eurjchem-827	56	13	,	,	PUNCT
eurjchem-827	56	14	26.90	26.90	NUM
eurjchem-827	56	15	.	.	PUNCT
eurjchem-827	56	16	found	find	VERB
eurjchem-827	56	17	:	:	PUNCT
eurjchem-827	57	1	c	c	X
eurjchem-827	57	2	,	,	PUNCT
eurjchem-827	57	3	46.20	46.20	NUM
eurjchem-827	57	4	;	;	PUNCT
eurjchem-827	57	5	h	h	NOUN
eurjchem-827	57	6	,	,	PUNCT
eurjchem-827	57	7	3.82	3.82	NUM
eurjchem-827	57	8	;	;	PUNCT
eurjchem-827	57	9	n	n	CCONJ
eurjchem-827	57	10	,	,	PUNCT
eurjchem-827	57	11	26.86	26.86	NUM
eurjchem-827	57	12	%	%	NOUN
eurjchem-827	57	13	.	.	PUNCT
eurjchem-827	58	1	2.3	2.3	NUM
eurjchem-827	58	2	.	.	PUNCT
eurjchem-827	59	1	potentiometric	potentiometric	ADJ
eurjchem-827	59	2	measurements	measurement	NOUN
eurjchem-827	59	3	the	the	DET
eurjchem-827	59	4	potentiometric	potentiometric	ADJ
eurjchem-827	59	5	titrations	titration	NOUN
eurjchem-827	59	6	were	be	AUX
eurjchem-827	59	7	carried	carry	VERB
eurjchem-827	59	8	out	out	ADP
eurjchem-827	59	9	in	in	ADP
eurjchem-827	59	10	water‐	water‐	NOUN
eurjchem-827	59	11	ethanol	ethanol	NOUN
eurjchem-827	59	12	(	(	PUNCT
eurjchem-827	59	13	90:10	90:10	NUM
eurjchem-827	59	14	,	,	PUNCT
eurjchem-827	59	15	v	v	NOUN
eurjchem-827	59	16	:	:	PUNCT
eurjchem-827	59	17	v	v	NOUN
eurjchem-827	59	18	)	)	PUNCT
eurjchem-827	59	19	solution	solution	NOUN
eurjchem-827	59	20	at	at	ADP
eurjchem-827	59	21	a	a	DET
eurjchem-827	59	22	0.2	0.2	NUM
eurjchem-827	59	23	mol	mol	NOUN
eurjchem-827	59	24	/	/	SYM
eurjchem-827	59	25	l	l	NOUN
eurjchem-827	59	26	ionic	ionic	ADJ
eurjchem-827	59	27	strength	strength	NOUN
eurjchem-827	59	28	(	(	PUNCT
eurjchem-827	59	29	nacl	nacl	NOUN
eurjchem-827	59	30	)	)	PUNCT
eurjchem-827	59	31	and	and	CCONJ
eurjchem-827	59	32	0.01	0.01	NUM
eurjchem-827	59	33	mol	mol	PROPN
eurjchem-827	59	34	/	/	SYM
eurjchem-827	59	35	l	l	NOUN
eurjchem-827	59	36	(	(	PUNCT
eurjchem-827	59	37	hcl	hcl	PROPN
eurjchem-827	59	38	)	)	PUNCT
eurjchem-827	59	39	in	in	ADP
eurjchem-827	59	40	a	a	DET
eurjchem-827	59	41	thermostated	thermostated	ADJ
eurjchem-827	59	42	vessel	vessel	NOUN
eurjchem-827	59	43	at	at	ADP
eurjchem-827	59	44	25.0±0.1	25.0±0.1	NUM
eurjchem-827	59	45	°	°	ADP
eurjchem-827	59	46	c	c	NOUN
eurjchem-827	59	47	under	under	ADP
eurjchem-827	59	48	nitrogen	nitrogen	NOUN
eurjchem-827	59	49	atmosphere	atmosphere	NOUN
eurjchem-827	59	50	.	.	PUNCT
eurjchem-827	60	1	the	the	DET
eurjchem-827	60	2	solutions	solution	NOUN
eurjchem-827	60	3	were	be	AUX
eurjchem-827	60	4	titrated	titrate	VERB
eurjchem-827	60	5	with	with	ADP
eurjchem-827	60	6	carbonate	carbonate	NOUN
eurjchem-827	60	7	free	free	ADJ
eurjchem-827	60	8	naoh	naoh	NOUN
eurjchem-827	60	9	(	(	PUNCT
eurjchem-827	60	10	0.1	0.1	NUM
eurjchem-827	60	11	mol	mol	NOUN
eurjchem-827	60	12	/	/	SYM
eurjchem-827	60	13	l	l	NOUN
eurjchem-827	60	14	)	)	PUNCT
eurjchem-827	60	15	,	,	PUNCT
eurjchem-827	60	16	the	the	DET
eurjchem-827	60	17	ph	ph	ADJ
eurjchem-827	60	18	values	value	NOUN
eurjchem-827	60	19	were	be	AUX
eurjchem-827	60	20	measured	measure	VERB
eurjchem-827	60	21	with	with	ADP
eurjchem-827	60	22	a	a	DET
eurjchem-827	60	23	schott	schott	NOUN
eurjchem-827	60	24	instruments	instrument	NOUN
eurjchem-827	60	25	titroline	titroline	NOUN
eurjchem-827	60	26	easy	easy	ADV
eurjchem-827	60	27	.	.	PUNCT
eurjchem-827	61	1	the	the	DET
eurjchem-827	61	2	ph	ph	ADJ
eurjchem-827	61	3	meter	meter	NOUN
eurjchem-827	61	4	readings	reading	NOUN
eurjchem-827	61	5	in	in	ADP
eurjchem-827	61	6	water‐ethanol	water‐ethanol	PROPN
eurjchem-827	61	7	(	(	PUNCT
eurjchem-827	61	8	90:10	90:10	NUM
eurjchem-827	61	9	,	,	PUNCT
eurjchem-827	61	10	v	v	NOUN
eurjchem-827	61	11	:	:	PUNCT
eurjchem-827	61	12	v	v	NOUN
eurjchem-827	61	13	)	)	PUNCT
eurjchem-827	61	14	mixture	mixture	NOUN
eurjchem-827	61	15	differs	differ	VERB
eurjchem-827	61	16	by	by	ADP
eurjchem-827	61	17	an	an	DET
eurjchem-827	61	18	amount	amount	NOUN
eurjchem-827	61	19	of	of	ADP
eurjchem-827	61	20	0.02	0.02	NUM
eurjchem-827	61	21	from	from	ADP
eurjchem-827	61	22	the	the	DET
eurjchem-827	61	23	corrected	correct	VERB
eurjchem-827	61	24	reading	reading	NOUN
eurjchem-827	61	25	in	in	ADP
eurjchem-827	61	26	aqueous	aqueous	ADJ
eurjchem-827	61	27	medium	medium	NOUN
eurjchem-827	61	28	.	.	PUNCT
eurjchem-827	62	1	accordingly	accordingly	ADV
eurjchem-827	62	2	the	the	DET
eurjchem-827	62	3	presence	presence	NOUN
eurjchem-827	62	4	of	of	ADP
eurjchem-827	62	5	10	10	NUM
eurjchem-827	62	6	%	%	NOUN
eurjchem-827	62	7	of	of	ADP
eurjchem-827	62	8	ethanol	ethanol	NOUN
eurjchem-827	62	9	in	in	ADP
eurjchem-827	62	10	the	the	DET
eurjchem-827	62	11	solvent	solvent	NOUN
eurjchem-827	62	12	has	have	VERB
eurjchem-827	62	13	a	a	DET
eurjchem-827	62	14	minor	minor	ADJ
eurjchem-827	62	15	influence	influence	NOUN
eurjchem-827	62	16	on	on	ADP
eurjchem-827	62	17	the	the	DET
eurjchem-827	62	18	protonation	protonation	NOUN
eurjchem-827	62	19	or	or	CCONJ
eurjchem-827	62	20	complexes	complexe	VERB
eurjchem-827	62	21	stability	stability	NOUN
eurjchem-827	62	22	constants	constant	NOUN
eurjchem-827	62	23	obtained	obtain	VERB
eurjchem-827	62	24	[	[	X
eurjchem-827	62	25	14	14	NUM
eurjchem-827	62	26	]	]	PUNCT
eurjchem-827	62	27	.	.	PUNCT
eurjchem-827	63	1	the	the	DET
eurjchem-827	63	2	measurements	measurement	NOUN
eurjchem-827	63	3	were	be	AUX
eurjchem-827	63	4	carried	carry	VERB
eurjchem-827	63	5	out	out	ADP
eurjchem-827	63	6	for	for	ADP
eurjchem-827	63	7	the	the	DET
eurjchem-827	63	8	ligand	ligand	NOUN
eurjchem-827	63	9	alone	alone	ADV
eurjchem-827	63	10	at	at	ADP
eurjchem-827	63	11	the	the	DET
eurjchem-827	63	12	concentration	concentration	NOUN
eurjchem-827	63	13	cl	cl	NOUN
eurjchem-827	63	14	=	=	SYM
eurjchem-827	63	15	5.10‐4	5.10‐4	NUM
eurjchem-827	63	16	mol	mol	PROPN
eurjchem-827	63	17	/	/	SYM
eurjchem-827	63	18	l	l	NOUN
eurjchem-827	63	19	,	,	PUNCT
eurjchem-827	63	20	and	and	CCONJ
eurjchem-827	63	21	for	for	ADP
eurjchem-827	63	22	the	the	DET
eurjchem-827	63	23	ligand	ligand	NOUN
eurjchem-827	63	24	in	in	ADP
eurjchem-827	63	25	the	the	DET
eurjchem-827	63	26	presence	presence	NOUN
eurjchem-827	63	27	of	of	ADP
eurjchem-827	63	28	metal	metal	NOUN
eurjchem-827	63	29	cation	cation	NOUN
eurjchem-827	63	30	at	at	ADP
eurjchem-827	63	31	the	the	DET
eurjchem-827	63	32	ligand/	ligand/	NUM
eurjchem-827	63	33	metal	metal	NOUN
eurjchem-827	63	34	ratio	ratio	NOUN
eurjchem-827	63	35	1:2	1:2	NUM
eurjchem-827	63	36	.	.	PUNCT
eurjchem-827	64	1	the	the	DET
eurjchem-827	64	2	sirko	sirko	PROPN
eurjchem-827	64	3	program	program	NOUN
eurjchem-827	64	4	was	be	AUX
eurjchem-827	64	5	used	use	VERB
eurjchem-827	64	6	to	to	PART
eurjchem-827	64	7	calculate	calculate	VERB
eurjchem-827	64	8	both	both	DET
eurjchem-827	64	9	protonation	protonation	NOUN
eurjchem-827	64	10	and	and	CCONJ
eurjchem-827	64	11	stability	stability	NOUN
eurjchem-827	64	12	constants	constant	NOUN
eurjchem-827	64	13	of	of	ADP
eurjchem-827	64	14	the	the	DET
eurjchem-827	64	15	ligands	ligand	NOUN
eurjchem-827	64	16	and	and	CCONJ
eurjchem-827	64	17	their	their	PRON
eurjchem-827	64	18	complexes	complex	NOUN
eurjchem-827	64	19	[	[	X
eurjchem-827	64	20	15	15	NUM
eurjchem-827	64	21	]	]	PUNCT
eurjchem-827	64	22	.	.	PUNCT
eurjchem-827	65	1	computer‐refined	computer‐refine	VERB
eurjchem-827	65	2	values	value	NOUN
eurjchem-827	65	3	of	of	ADP
eurjchem-827	65	4	the	the	DET
eurjchem-827	65	5	constants	constant	NOUN
eurjchem-827	65	6	corresponding	correspond	VERB
eurjchem-827	65	7	to	to	ADP
eurjchem-827	65	8	the	the	DET
eurjchem-827	65	9	minimum	minimum	ADJ
eurjchem-827	65	10	standard	standard	ADJ
eurjchem-827	65	11	deviation	deviation	NOUN
eurjchem-827	65	12	were	be	AUX
eurjchem-827	65	13	retained	retain	VERB
eurjchem-827	65	14	and	and	CCONJ
eurjchem-827	65	15	used	use	VERB
eurjchem-827	65	16	for	for	ADP
eurjchem-827	65	17	the	the	DET
eurjchem-827	65	18	calculation	calculation	NOUN
eurjchem-827	65	19	of	of	ADP
eurjchem-827	65	20	species	specie	NOUN
eurjchem-827	65	21	distribution	distribution	NOUN
eurjchem-827	65	22	.	.	PUNCT
eurjchem-827	66	1	2.4	2.4	NUM
eurjchem-827	66	2	.	.	PUNCT
eurjchem-827	67	1	computational	computational	ADJ
eurjchem-827	67	2	methods	method	NOUN
eurjchem-827	67	3	the	the	DET
eurjchem-827	67	4	b3lyp	b3lyp	X
eurjchem-827	68	1	[	[	X
eurjchem-827	68	2	16,17	16,17	NUM
eurjchem-827	68	3	]	]	PUNCT
eurjchem-827	68	4	density	density	NOUN
eurjchem-827	68	5	functional	functional	ADJ
eurjchem-827	68	6	method	method	NOUN
eurjchem-827	68	7	as	as	SCONJ
eurjchem-827	68	8	implemented	implement	VERB
eurjchem-827	68	9	in	in	ADP
eurjchem-827	68	10	the	the	DET
eurjchem-827	68	11	gaussian	gaussian	ADJ
eurjchem-827	68	12	03	03	NUM
eurjchem-827	68	13	package	package	NOUN
eurjchem-827	68	14	[	[	X
eurjchem-827	68	15	18	18	NUM
eurjchem-827	68	16	]	]	PUNCT
eurjchem-827	68	17	was	be	AUX
eurjchem-827	68	18	used	use	VERB
eurjchem-827	68	19	throughout	throughout	ADP
eurjchem-827	68	20	the	the	DET
eurjchem-827	68	21	whole	whole	ADJ
eurjchem-827	68	22	study	study	NOUN
eurjchem-827	68	23	.	.	PUNCT
eurjchem-827	69	1	all	all	DET
eurjchem-827	69	2	structures	structure	NOUN
eurjchem-827	69	3	were	be	AUX
eurjchem-827	69	4	fully	fully	ADV
eurjchem-827	69	5	optimized	optimize	VERB
eurjchem-827	69	6	using	use	VERB
eurjchem-827	69	7	the	the	DET
eurjchem-827	69	8	6‐31+g(d	6‐31+g(d	NOUN
eurjchem-827	69	9	,	,	PUNCT
eurjchem-827	69	10	p	p	NOUN
eurjchem-827	69	11	)	)	PUNCT
eurjchem-827	69	12	basis	basis	NOUN
eurjchem-827	69	13	set	set	NOUN
eurjchem-827	69	14	.	.	PUNCT
eurjchem-827	70	1	the	the	DET
eurjchem-827	70	2	solvation	solvation	NOUN
eurjchem-827	70	3	free	free	ADJ
eurjchem-827	70	4	energies	energy	NOUN
eurjchem-827	70	5	for	for	ADP
eurjchem-827	70	6	the	the	DET
eurjchem-827	70	7	protonated	protonate	VERB
eurjchem-827	70	8	and	and	CCONJ
eurjchem-827	70	9	neutral	neutral	ADJ
eurjchem-827	70	10	species	specie	NOUN
eurjchem-827	70	11	were	be	AUX
eurjchem-827	70	12	obtained	obtain	VERB
eurjchem-827	70	13	theoretically	theoretically	ADV
eurjchem-827	70	14	using	use	VERB
eurjchem-827	70	15	a	a	DET
eurjchem-827	70	16	conductor‐like	conductor‐like	NOUN
eurjchem-827	70	17	polarizable	polarizable	ADJ
eurjchem-827	70	18	continuum	continuum	ADJ
eurjchem-827	70	19	variant	variant	NOUN
eurjchem-827	70	20	(	(	PUNCT
eurjchem-827	70	21	cpcm	cpcm	PROPN
eurjchem-827	70	22	)	)	PUNCT
eurjchem-827	71	1	[	[	X
eurjchem-827	71	2	19	19	NUM
eurjchem-827	71	3	]	]	PUNCT
eurjchem-827	71	4	.	.	PUNCT
eurjchem-827	72	1	cpcm	cpcm	PROPN
eurjchem-827	72	2	calculations	calculation	NOUN
eurjchem-827	72	3	were	be	AUX
eurjchem-827	72	4	performed	perform	VERB
eurjchem-827	72	5	as	as	ADP
eurjchem-827	72	6	single	single	ADJ
eurjchem-827	72	7	points	point	NOUN
eurjchem-827	72	8	(	(	PUNCT
eurjchem-827	72	9	without	without	ADP
eurjchem-827	72	10	optimization	optimization	NOUN
eurjchem-827	72	11	)	)	PUNCT
eurjchem-827	72	12	on	on	ADP
eurjchem-827	72	13	the	the	DET
eurjchem-827	72	14	gas‐phase	gas‐phase	PROPN
eurjchem-827	72	15	geometries	geometry	NOUN
eurjchem-827	72	16	.	.	PUNCT
eurjchem-827	73	1	the	the	DET
eurjchem-827	73	2	pka	pka	PROPN
eurjchem-827	73	3	calculations	calculation	NOUN
eurjchem-827	73	4	were	be	AUX
eurjchem-827	73	5	carried	carry	VERB
eurjchem-827	73	6	out	out	ADP
eurjchem-827	73	7	using	use	VERB
eurjchem-827	73	8	the	the	DET
eurjchem-827	73	9	following	follow	VERB
eurjchem-827	73	10	relationship	relationship	NOUN
eurjchem-827	73	11	(	(	PUNCT
eurjchem-827	73	12	discussed	discuss	VERB
eurjchem-827	73	13	in	in	ADP
eurjchem-827	73	14	detail	detail	NOUN
eurjchem-827	73	15	in	in	ADP
eurjchem-827	73	16	reference	reference	NOUN
eurjchem-827	73	17	[	[	X
eurjchem-827	73	18	20	20	NUM
eurjchem-827	73	19	]	]	X
eurjchem-827	73	20	:	:	PUNCT
eurjchem-827	74	1			PROPN
eurjchem-827	74	2	+	+	PUNCT
eurjchem-827	74	3	+	+	CCONJ
eurjchem-827	74	4	gas	gas	NOUN
eurjchem-827	74	5	gas	gas	NOUN
eurjchem-827	74	6	solv	solv	NOUN
eurjchem-827	74	7	solvpka=	solvpka=	PRON
eurjchem-827	74	8	g	g	NOUN
eurjchem-827	74	9	(	(	PUNCT
eurjchem-827	74	10	b)‐g	b)‐g	NOUN
eurjchem-827	74	11	bh	bh	NOUN
eurjchem-827	74	12	)	)	PUNCT
eurjchem-827	74	13	+	+	ADP
eurjchem-827	74	14	δg	δg	PROPN
eurjchem-827	74	15	(	(	PUNCT
eurjchem-827	74	16	b)‐δg	b)‐δg	PROPN
eurjchem-827	74	17	(	(	PUNCT
eurjchem-827	74	18	bh	bh	NOUN
eurjchem-827	74	19	)	)	PUNCT
eurjchem-827	74	20	‐269.0	‐269.0	ADJ
eurjchem-827	74	21	/1.3644	/1.3644	PUNCT
eurjchem-827	74	22			X
eurjchem-827	74	23			PROPN
eurjchem-827	74	24			PROPN
eurjchem-827	74	25	(	(	PUNCT
eurjchem-827	74	26	1	1	X
eurjchem-827	74	27	)	)	PUNCT
eurjchem-827	74	28	the	the	DET
eurjchem-827	74	29	acidity	acidity	NOUN
eurjchem-827	74	30	constant	constant	ADJ
eurjchem-827	74	31	of	of	ADP
eurjchem-827	74	32	s‐h	s‐h	PROPN
eurjchem-827	74	33	was	be	AUX
eurjchem-827	74	34	calculated	calculate	VERB
eurjchem-827	74	35	using	use	VERB
eurjchem-827	74	36	the	the	DET
eurjchem-827	74	37	methodology	methodology	NOUN
eurjchem-827	74	38	proposed	propose	VERB
eurjchem-827	74	39	by	by	ADP
eurjchem-827	74	40	panina	panina	ADJ
eurjchem-827	74	41	[	[	X
eurjchem-827	74	42	21	21	NUM
eurjchem-827	74	43	]	]	PUNCT
eurjchem-827	74	44	.	.	PUNCT
eurjchem-827	75	1	the	the	DET
eurjchem-827	75	2	procedure	procedure	NOUN
eurjchem-827	75	3	has	have	AUX
eurjchem-827	75	4	been	be	AUX
eurjchem-827	75	5	obtained	obtain	VERB
eurjchem-827	75	6	using	use	VERB
eurjchem-827	75	7	a	a	DET
eurjchem-827	75	8	training	training	NOUN
eurjchem-827	75	9	set	set	NOUN
eurjchem-827	75	10	of	of	ADP
eurjchem-827	75	11	ten	ten	NUM
eurjchem-827	75	12	rsh	rsh	ADJ
eurjchem-827	75	13	thiols	thiol	NOUN
eurjchem-827	75	14	with	with	ADP
eurjchem-827	75	15	known	know	VERB
eurjchem-827	75	16	hydroxyl	hydroxyl	NOUN
eurjchem-827	75	17	pka	pka	PROPN
eurjchem-827	75	18	values	value	NOUN
eurjchem-827	75	19	.	.	PUNCT
eurjchem-827	76	1	the	the	DET
eurjchem-827	76	2	optimized	optimize	VERB
eurjchem-827	76	3	structures	structure	NOUN
eurjchem-827	76	4	of	of	ADP
eurjchem-827	76	5	the	the	DET
eurjchem-827	76	6	complexes	complex	NOUN
eurjchem-827	76	7	were	be	AUX
eurjchem-827	76	8	obtained	obtain	VERB
eurjchem-827	76	9	at	at	ADP
eurjchem-827	76	10	b3lyp	b3lyp	NUM
eurjchem-827	76	11	level	level	NOUN
eurjchem-827	76	12	where	where	SCONJ
eurjchem-827	76	13	the	the	DET
eurjchem-827	76	14	6‐31g(d	6‐31g(d	NOUN
eurjchem-827	76	15	)	)	PUNCT
eurjchem-827	76	16	basis	basis	NOUN
eurjchem-827	76	17	set	set	NOUN
eurjchem-827	76	18	has	have	AUX
eurjchem-827	76	19	been	be	AUX
eurjchem-827	76	20	used	use	VERB
eurjchem-827	76	21	for	for	ADP
eurjchem-827	76	22	all	all	DET
eurjchem-827	76	23	atoms	atom	NOUN
eurjchem-827	76	24	except	except	SCONJ
eurjchem-827	76	25	the	the	DET
eurjchem-827	76	26	metal	metal	NOUN
eurjchem-827	76	27	ions	ion	NOUN
eurjchem-827	76	28	in	in	ADP
eurjchem-827	76	29	which	which	PRON
eurjchem-827	76	30	the	the	DET
eurjchem-827	76	31	ecp	ecp	NOUN
eurjchem-827	76	32	basis	basis	NOUN
eurjchem-827	76	33	sets	set	NOUN
eurjchem-827	76	34	downloaded	download	VERB
eurjchem-827	76	35	from	from	ADP
eurjchem-827	76	36	the	the	DET
eurjchem-827	76	37	emsl	emsl	PROPN
eurjchem-827	76	38	basis	basis	NOUN
eurjchem-827	76	39	set	set	NOUN
eurjchem-827	76	40	library	library	NOUN
eurjchem-827	76	41	have	have	AUX
eurjchem-827	76	42	been	be	AUX
eurjchem-827	76	43	used	use	VERB
eurjchem-827	76	44	.	.	PUNCT
eurjchem-827	77	1	lechani	lechani	PROPN
eurjchem-827	77	2	et	et	PROPN
eurjchem-827	77	3	al	al	PROPN
eurjchem-827	77	4	.	.	PUNCT
eurjchem-827	77	5	/	/	SYM
eurjchem-827	77	6	european	european	PROPN
eurjchem-827	77	7	journal	journal	PROPN
eurjchem-827	77	8	of	of	ADP
eurjchem-827	77	9	chemistry	chemistry	NOUN
eurjchem-827	77	10	4	4	NUM
eurjchem-827	77	11	(	(	PUNCT
eurjchem-827	77	12	3	3	NUM
eurjchem-827	77	13	)	)	PUNCT
eurjchem-827	77	14	(	(	PUNCT
eurjchem-827	77	15	2013	2013	NUM
eurjchem-827	77	16	)	)	PUNCT
eurjchem-827	77	17	285‐291	285‐291	NUM
eurjchem-827	77	18	287	287	NUM
eurjchem-827	77	19	figure	figure	NOUN
eurjchem-827	77	20	2	2	NUM
eurjchem-827	77	21	.	.	PUNCT
eurjchem-827	77	22	schematic	schematic	ADJ
eurjchem-827	77	23	representation	representation	NOUN
eurjchem-827	77	24	of	of	ADP
eurjchem-827	77	25	the	the	DET
eurjchem-827	77	26	different	different	ADJ
eurjchem-827	77	27	tautomers	tautomer	NOUN
eurjchem-827	77	28	/	/	SYM
eurjchem-827	77	29	rotamers	rotamer	NOUN
eurjchem-827	77	30	forms	form	NOUN
eurjchem-827	77	31	of	of	ADP
eurjchem-827	77	32	triazol	triazol	NOUN
eurjchem-827	77	33	.	.	PUNCT
eurjchem-827	78	1	standard	standard	ADJ
eurjchem-827	78	2	numbering	numbering	NOUN
eurjchem-827	78	3	and	and	CCONJ
eurjchem-827	78	4	adopted	adopt	VERB
eurjchem-827	78	5	nomenclature	nomenclature	NOUN
eurjchem-827	78	6	are	be	AUX
eurjchem-827	78	7	presented	present	VERB
eurjchem-827	78	8	.	.	PUNCT
eurjchem-827	79	1	3	3	X
eurjchem-827	79	2	.	.	X
eurjchem-827	79	3	results	result	NOUN
eurjchem-827	79	4	and	and	CCONJ
eurjchem-827	79	5	discussion	discussion	NOUN
eurjchem-827	79	6	3.1	3.1	NUM
eurjchem-827	79	7	.	.	PUNCT
eurjchem-827	80	1	experimental	experimental	ADJ
eurjchem-827	80	2	characterization	characterization	NOUN
eurjchem-827	80	3	of	of	ADP
eurjchem-827	80	4	the	the	DET
eurjchem-827	80	5	ligand	ligand	NOUN
eurjchem-827	80	6	and	and	CCONJ
eurjchem-827	80	7	its	its	PRON
eurjchem-827	80	8	tautomeric	tautomeric	ADJ
eurjchem-827	80	9	forms	form	NOUN
eurjchem-827	80	10	tautomerism	tautomerism	NOUN
eurjchem-827	80	11	has	have	AUX
eurjchem-827	80	12	been	be	AUX
eurjchem-827	80	13	found	find	VERB
eurjchem-827	80	14	to	to	PART
eurjchem-827	80	15	be	be	AUX
eurjchem-827	80	16	important	important	ADJ
eurjchem-827	80	17	in	in	ADP
eurjchem-827	80	18	the	the	DET
eurjchem-827	80	19	chemistry	chemistry	NOUN
eurjchem-827	80	20	of	of	ADP
eurjchem-827	80	21	1,2,4‐triazole	1,2,4‐triazole	NUM
eurjchem-827	80	22	family	family	NOUN
eurjchem-827	80	23	in	in	ADP
eurjchem-827	80	24	general	general	ADJ
eurjchem-827	80	25	.	.	PUNCT
eurjchem-827	81	1	in	in	ADP
eurjchem-827	81	2	the	the	DET
eurjchem-827	81	3	case	case	NOUN
eurjchem-827	81	4	of	of	ADP
eurjchem-827	81	5	aminosulfanyltriazoles	aminosulfanyltriazole	NOUN
eurjchem-827	81	6	such	such	ADJ
eurjchem-827	81	7	as	as	ADP
eurjchem-827	81	8	our	our	PRON
eurjchem-827	81	9	ligand	ligand	NOUN
eurjchem-827	81	10	(	(	PUNCT
eurjchem-827	81	11	product	product	NOUN
eurjchem-827	81	12	4	4	NUM
eurjchem-827	81	13	)	)	PUNCT
eurjchem-827	81	14	,	,	PUNCT
eurjchem-827	81	15	tautomerism	tautomerism	NOUN
eurjchem-827	81	16	may	may	AUX
eurjchem-827	81	17	involve	involve	VERB
eurjchem-827	81	18	the	the	DET
eurjchem-827	81	19	substituent	substituent	NOUN
eurjchem-827	81	20	group	group	NOUN
eurjchem-827	81	21	c	c	NOUN
eurjchem-827	81	22	=	=	PROPN
eurjchem-827	81	23	s.	s.	PROPN
eurjchem-827	81	24	it	it	PRON
eurjchem-827	81	25	has	have	AUX
eurjchem-827	81	26	been	be	AUX
eurjchem-827	81	27	reported	report	VERB
eurjchem-827	81	28	that	that	SCONJ
eurjchem-827	81	29	the	the	DET
eurjchem-827	81	30	crystal	crystal	NOUN
eurjchem-827	81	31	structure	structure	NOUN
eurjchem-827	81	32	of	of	ADP
eurjchem-827	81	33	product	product	NOUN
eurjchem-827	81	34	4	4	NUM
eurjchem-827	81	35	corresponded	correspond	VERB
eurjchem-827	81	36	to	to	ADP
eurjchem-827	81	37	the	the	DET
eurjchem-827	81	38	thione	thione	ADJ
eurjchem-827	81	39	form	form	NOUN
eurjchem-827	81	40	,	,	PUNCT
eurjchem-827	81	41	but	but	CCONJ
eurjchem-827	81	42	they	they	PRON
eurjchem-827	81	43	showed	show	VERB
eurjchem-827	81	44	thiol‐thione	thiol‐thione	NOUN
eurjchem-827	81	45	tautomerism	tautomerism	NOUN
eurjchem-827	81	46	in	in	ADP
eurjchem-827	81	47	solution	solution	NOUN
eurjchem-827	81	48	.	.	PUNCT
eurjchem-827	82	1	the	the	DET
eurjchem-827	82	2	spectrometric	spectrometric	ADJ
eurjchem-827	82	3	data	datum	NOUN
eurjchem-827	82	4	available	available	ADJ
eurjchem-827	82	5	for	for	ADP
eurjchem-827	82	6	the	the	DET
eurjchem-827	82	7	ligand	ligand	NOUN
eurjchem-827	82	8	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐	DET
eurjchem-827	82	9	triazole‐3‐thione	triazole‐3‐thione	NUM
eurjchem-827	82	10	are	be	AUX
eurjchem-827	82	11	ir	ir	PROPN
eurjchem-827	82	12	spectrum	spectrum	NOUN
eurjchem-827	82	13	recorded	record	VERB
eurjchem-827	82	14	as	as	ADP
eurjchem-827	82	15	kbr	kbr	PROPN
eurjchem-827	82	16	disk	disk	NOUN
eurjchem-827	82	17	from	from	ADP
eurjchem-827	82	18	powder	powder	NOUN
eurjchem-827	82	19	and	and	CCONJ
eurjchem-827	82	20	1h	1h	NUM
eurjchem-827	82	21	and	and	CCONJ
eurjchem-827	82	22	13c	13c	NOUN
eurjchem-827	82	23	nmr	nmr	NOUN
eurjchem-827	82	24	spectra	spectra	NOUN
eurjchem-827	82	25	recorded	record	VERB
eurjchem-827	82	26	in	in	ADP
eurjchem-827	82	27	dmso‐d6	dmso‐d6	PROPN
eurjchem-827	82	28	solutions	solution	NOUN
eurjchem-827	82	29	.	.	PUNCT
eurjchem-827	83	1	a	a	DET
eurjchem-827	83	2	careful	careful	ADJ
eurjchem-827	83	3	examination	examination	NOUN
eurjchem-827	83	4	of	of	ADP
eurjchem-827	83	5	the	the	DET
eurjchem-827	83	6	ir	ir	PROPN
eurjchem-827	83	7	spectra	spectra	PROPN
eurjchem-827	83	8	(	(	PUNCT
eurjchem-827	83	9	kbr	kbr	PROPN
eurjchem-827	83	10	disk	disk	NOUN
eurjchem-827	83	11	)	)	PUNCT
eurjchem-827	83	12	reveals	reveal	VERB
eurjchem-827	83	13	the	the	DET
eurjchem-827	83	14	presence	presence	NOUN
eurjchem-827	83	15	of	of	ADP
eurjchem-827	83	16	only	only	ADV
eurjchem-827	83	17	the	the	DET
eurjchem-827	83	18	thionic	thionic	ADJ
eurjchem-827	83	19	tautomeric	tautomeric	ADJ
eurjchem-827	83	20	form	form	NOUN
eurjchem-827	83	21	in	in	ADP
eurjchem-827	83	22	solid	solid	ADJ
eurjchem-827	83	23	state	state	NOUN
eurjchem-827	83	24	by	by	ADP
eurjchem-827	83	25	the	the	DET
eurjchem-827	83	26	observation	observation	NOUN
eurjchem-827	83	27	of	of	ADP
eurjchem-827	83	28	an	an	DET
eurjchem-827	83	29	intense	intense	ADJ
eurjchem-827	83	30	band	band	NOUN
eurjchem-827	83	31	at	at	ADP
eurjchem-827	83	32	1302	1302	NUM
eurjchem-827	83	33	cm‐1	cm‐1	NOUN
eurjchem-827	83	34	attributable	attributable	ADJ
eurjchem-827	83	35	to	to	ADP
eurjchem-827	83	36	a	a	PRON
eurjchem-827	83	37	(	(	PUNCT
eurjchem-827	83	38	c	c	NOUN
eurjchem-827	83	39	=	=	SYM
eurjchem-827	83	40	s	s	PART
eurjchem-827	83	41	)	)	PUNCT
eurjchem-827	83	42	stretching	stretch	VERB
eurjchem-827	83	43	vibration	vibration	NOUN
eurjchem-827	83	44	and	and	CCONJ
eurjchem-827	83	45	by	by	ADP
eurjchem-827	83	46	the	the	DET
eurjchem-827	83	47	absence	absence	NOUN
eurjchem-827	83	48	of	of	ADP
eurjchem-827	83	49	any	any	DET
eurjchem-827	83	50	band	band	NOUN
eurjchem-827	83	51	in	in	ADP
eurjchem-827	83	52	the	the	DET
eurjchem-827	83	53	range	range	NOUN
eurjchem-827	83	54	of	of	ADP
eurjchem-827	83	55	the	the	DET
eurjchem-827	83	56	s‐h	s‐h	NOUN
eurjchem-827	83	57	stretching	stretch	VERB
eurjchem-827	83	58	vibration	vibration	NOUN
eurjchem-827	83	59	(	(	PUNCT
eurjchem-827	83	60	2450‐	2450‐	NUM
eurjchem-827	83	61	2560	2560	NUM
eurjchem-827	83	62	cm‐1	cm‐1	NOUN
eurjchem-827	83	63	)	)	PUNCT
eurjchem-827	83	64	.	.	PUNCT
eurjchem-827	84	1	in	in	ADP
eurjchem-827	84	2	the	the	DET
eurjchem-827	84	3	uv	uv	NOUN
eurjchem-827	84	4	spectra	spectra	NOUN
eurjchem-827	84	5	in	in	ADP
eurjchem-827	84	6	solution	solution	NOUN
eurjchem-827	84	7	(	(	PUNCT
eurjchem-827	84	8	ethanol	ethanol	NOUN
eurjchem-827	84	9	)	)	PUNCT
eurjchem-827	84	10	,	,	PUNCT
eurjchem-827	84	11	the	the	DET
eurjchem-827	84	12	presence	presence	NOUN
eurjchem-827	84	13	of	of	ADP
eurjchem-827	84	14	a	a	DET
eurjchem-827	84	15	shoulder	shoulder	NOUN
eurjchem-827	84	16	with	with	ADP
eurjchem-827	84	17	weak	weak	ADJ
eurjchem-827	84	18	intensity	intensity	NOUN
eurjchem-827	84	19	at	at	ADP
eurjchem-827	84	20	340	340	NUM
eurjchem-827	84	21	nm	nm	ADJ
eurjchem-827	84	22	characteristic	characteristic	NOUN
eurjchem-827	84	23	of	of	ADP
eurjchem-827	84	24	n	n	PROPN
eurjchem-827	84	25	→	→	SYM
eurjchem-827	84	26	π	π	PROPN
eurjchem-827	84	27	*	*	PUNCT
eurjchem-827	84	28	transition	transition	NOUN
eurjchem-827	84	29	can	can	AUX
eurjchem-827	84	30	be	be	AUX
eurjchem-827	84	31	attributable	attributable	ADJ
eurjchem-827	84	32	also	also	ADV
eurjchem-827	84	33	to	to	ADP
eurjchem-827	84	34	thione	thione	PROPN
eurjchem-827	84	35	(	(	PUNCT
eurjchem-827	84	36	c	c	NOUN
eurjchem-827	84	37	=	=	SYM
eurjchem-827	84	38	s	s	NOUN
eurjchem-827	84	39	)	)	PUNCT
eurjchem-827	84	40	form	form	NOUN
eurjchem-827	84	41	.	.	PUNCT
eurjchem-827	85	1	nmr	nmr	NOUN
eurjchem-827	85	2	recorded	record	VERB
eurjchem-827	85	3	in	in	ADP
eurjchem-827	85	4	dmso‐d6	dmso‐d6	PROPN
eurjchem-827	85	5	reveal	reveal	VERB
eurjchem-827	85	6	the	the	DET
eurjchem-827	85	7	absence	absence	NOUN
eurjchem-827	85	8	of	of	ADP
eurjchem-827	85	9	the	the	DET
eurjchem-827	85	10	c	c	PROPN
eurjchem-827	85	11	=	=	PROPN
eurjchem-827	85	12	s	s	PART
eurjchem-827	85	13	group	group	NOUN
eurjchem-827	85	14	of	of	ADP
eurjchem-827	85	15	the	the	DET
eurjchem-827	85	16	thione	thione	NOUN
eurjchem-827	85	17	and	and	CCONJ
eurjchem-827	85	18	presence	presence	NOUN
eurjchem-827	85	19	of	of	ADP
eurjchem-827	85	20	the	the	DET
eurjchem-827	85	21	s‐h	s‐h	PROPN
eurjchem-827	85	22	group	group	NOUN
eurjchem-827	85	23	of	of	ADP
eurjchem-827	85	24	the	the	DET
eurjchem-827	85	25	thiol	thiol	ADJ
eurjchem-827	85	26	form	form	NOUN
eurjchem-827	85	27	.	.	PUNCT
eurjchem-827	86	1	the	the	DET
eurjchem-827	86	2	o‐h	o‐h	ADJ
eurjchem-827	86	3	and	and	CCONJ
eurjchem-827	86	4	s‐h	s‐h	PROPN
eurjchem-827	86	5	resonances	resonance	NOUN
eurjchem-827	86	6	were	be	AUX
eurjchem-827	86	7	observed	observe	VERB
eurjchem-827	86	8	in	in	ADP
eurjchem-827	86	9	the	the	DET
eurjchem-827	86	10	1h	1h	NUM
eurjchem-827	86	11	nmr	nmr	NOUN
eurjchem-827	86	12	spectrum	spectrum	VERB
eurjchem-827	86	13	10.39	10.39	NUM
eurjchem-827	86	14	and	and	CCONJ
eurjchem-827	86	15	13.85	13.85	NUM
eurjchem-827	86	16	ppm	ppm	NOUN
eurjchem-827	86	17	,	,	PUNCT
eurjchem-827	86	18	respectively	respectively	ADV
eurjchem-827	86	19	.	.	PUNCT
eurjchem-827	87	1	its	its	PRON
eurjchem-827	87	2	spectrum	spectrum	NOUN
eurjchem-827	87	3	13c	13c	NOUN
eurjchem-827	87	4	nmr	nmr	NOUN
eurjchem-827	87	5	also	also	ADV
eurjchem-827	87	6	confirms	confirm	VERB
eurjchem-827	87	7	the	the	DET
eurjchem-827	87	8	presence	presence	NOUN
eurjchem-827	87	9	of	of	ADP
eurjchem-827	87	10	2‐substituted	2‐substitute	VERB
eurjchem-827	87	11	phenolic	phenolic	ADJ
eurjchem-827	87	12	ring	ring	NOUN
eurjchem-827	87	13	(	(	PUNCT
eurjchem-827	87	14	dept	dept	NOUN
eurjchem-827	87	15	135	135	NUM
eurjchem-827	87	16	:	:	PUNCT
eurjchem-827	87	17	116.6	116.6	NUM
eurjchem-827	87	18	;	;	PUNCT
eurjchem-827	87	19	119.5	119.5	NUM
eurjchem-827	87	20	;	;	PUNCT
eurjchem-827	87	21	131.2	131.2	NUM
eurjchem-827	87	22	;	;	PUNCT
eurjchem-827	87	23	and	and	CCONJ
eurjchem-827	87	24	132.6	132.6	NUM
eurjchem-827	87	25	)	)	PUNCT
eurjchem-827	87	26	.	.	PUNCT
eurjchem-827	88	1	the	the	DET
eurjchem-827	88	2	existence	existence	NOUN
eurjchem-827	88	3	of	of	ADP
eurjchem-827	88	4	the	the	DET
eurjchem-827	88	5	triazolic	triazolic	NOUN
eurjchem-827	88	6	ring	ring	NOUN
eurjchem-827	88	7	was	be	AUX
eurjchem-827	88	8	confirmed	confirm	VERB
eurjchem-827	88	9	mainly	mainly	ADV
eurjchem-827	88	10	by	by	ADP
eurjchem-827	88	11	the	the	DET
eurjchem-827	88	12	resonances	resonance	NOUN
eurjchem-827	88	13	c‐3	c‐3	NOUN
eurjchem-827	88	14	and	and	CCONJ
eurjchem-827	88	15	c‐5	c‐5	NOUN
eurjchem-827	88	16	(	(	PUNCT
eurjchem-827	88	17	156.4	156.4	NUM
eurjchem-827	88	18	and	and	CCONJ
eurjchem-827	88	19	149.5	149.5	NUM
eurjchem-827	88	20	ppm	ppm	NOUN
eurjchem-827	88	21	,	,	PUNCT
eurjchem-827	88	22	respectively	respectively	ADV
eurjchem-827	88	23	)	)	PUNCT
eurjchem-827	88	24	.	.	PUNCT
eurjchem-827	89	1	the	the	DET
eurjchem-827	89	2	ir	ir	PROPN
eurjchem-827	89	3	spectra	spectra	PROPN
eurjchem-827	89	4	reveals	reveal	VERB
eurjchem-827	89	5	the	the	DET
eurjchem-827	89	6	existence	existence	NOUN
eurjchem-827	89	7	of	of	ADP
eurjchem-827	89	8	only	only	ADV
eurjchem-827	89	9	the	the	DET
eurjchem-827	89	10	thionic	thionic	ADJ
eurjchem-827	89	11	form	form	NOUN
eurjchem-827	89	12	in	in	ADP
eurjchem-827	89	13	solid	solid	ADJ
eurjchem-827	89	14	state	state	NOUN
eurjchem-827	89	15	in	in	ADP
eurjchem-827	89	16	agreement	agreement	NOUN
eurjchem-827	89	17	with	with	ADP
eurjchem-827	89	18	the	the	DET
eurjchem-827	89	19	x‐ray	x‐ray	PROPN
eurjchem-827	89	20	molecular	molecular	ADJ
eurjchem-827	89	21	structure	structure	NOUN
eurjchem-827	89	22	determination	determination	NOUN
eurjchem-827	89	23	[	[	X
eurjchem-827	89	24	9	9	NUM
eurjchem-827	89	25	]	]	PUNCT
eurjchem-827	89	26	,	,	PUNCT
eurjchem-827	89	27	but	but	CCONJ
eurjchem-827	89	28	the	the	DET
eurjchem-827	89	29	uv	uv	NOUN
eurjchem-827	89	30	and	and	CCONJ
eurjchem-827	89	31	nmr	nmr	NOUN
eurjchem-827	89	32	spectrum	spectrum	NOUN
eurjchem-827	89	33	reveal	reveal	VERB
eurjchem-827	89	34	the	the	DET
eurjchem-827	89	35	presence	presence	NOUN
eurjchem-827	89	36	of	of	ADP
eurjchem-827	89	37	one	one	NUM
eurjchem-827	89	38	form	form	NOUN
eurjchem-827	89	39	(	(	PUNCT
eurjchem-827	89	40	thione	thione	NOUN
eurjchem-827	89	41	)	)	PUNCT
eurjchem-827	89	42	in	in	ADP
eurjchem-827	89	43	ethanol	ethanol	NOUN
eurjchem-827	89	44	and	and	CCONJ
eurjchem-827	89	45	the	the	DET
eurjchem-827	89	46	other	other	ADJ
eurjchem-827	89	47	form	form	NOUN
eurjchem-827	89	48	(	(	PUNCT
eurjchem-827	89	49	thiol	thiol	NOUN
eurjchem-827	89	50	)	)	PUNCT
eurjchem-827	89	51	in	in	ADP
eurjchem-827	89	52	dmso	dmso	NOUN
eurjchem-827	89	53	.	.	PUNCT
eurjchem-827	90	1	there	there	PRON
eurjchem-827	90	2	is	be	VERB
eurjchem-827	90	3	probably	probably	ADV
eurjchem-827	90	4	equilibrium	equilibrium	NOUN
eurjchem-827	90	5	between	between	ADP
eurjchem-827	90	6	the	the	DET
eurjchem-827	90	7	two	two	NUM
eurjchem-827	90	8	forms	form	NOUN
eurjchem-827	90	9	in	in	ADP
eurjchem-827	90	10	solution	solution	NOUN
eurjchem-827	90	11	,	,	PUNCT
eurjchem-827	90	12	which	which	PRON
eurjchem-827	90	13	is	be	AUX
eurjchem-827	90	14	dependent	dependent	ADJ
eurjchem-827	90	15	on	on	ADP
eurjchem-827	90	16	the	the	DET
eurjchem-827	90	17	nature	nature	NOUN
eurjchem-827	90	18	of	of	ADP
eurjchem-827	90	19	the	the	DET
eurjchem-827	90	20	solvent	solvent	NOUN
eurjchem-827	90	21	and	and	CCONJ
eurjchem-827	90	22	it	it	PRON
eurjchem-827	90	23	is	be	AUX
eurjchem-827	90	24	not	not	PART
eurjchem-827	90	25	possible	possible	ADJ
eurjchem-827	90	26	to	to	PART
eurjchem-827	90	27	determine	determine	VERB
eurjchem-827	90	28	the	the	DET
eurjchem-827	90	29	proportion	proportion	NOUN
eurjchem-827	90	30	of	of	ADP
eurjchem-827	90	31	each	each	DET
eurjchem-827	90	32	form	form	NOUN
eurjchem-827	90	33	.	.	PUNCT
eurjchem-827	91	1	3.2	3.2	NUM
eurjchem-827	91	2	.	.	PUNCT
eurjchem-827	91	3	tautomerism	tautomerism	NOUN
eurjchem-827	91	4	and	and	CCONJ
eurjchem-827	91	5	conformational	conformational	ADJ
eurjchem-827	91	6	stability	stability	NOUN
eurjchem-827	91	7	of	of	ADP
eurjchem-827	91	8	the	the	DET
eurjchem-827	91	9	ligand	ligand	NOUN
eurjchem-827	91	10	by	by	ADP
eurjchem-827	91	11	dft	dft	PROPN
eurjchem-827	91	12	calculation	calculation	NOUN
eurjchem-827	91	13	the	the	DET
eurjchem-827	91	14	following	follow	VERB
eurjchem-827	91	15	figure	figure	NOUN
eurjchem-827	91	16	shows	show	VERB
eurjchem-827	91	17	the	the	DET
eurjchem-827	91	18	tautomeric	tautomeric	ADJ
eurjchem-827	91	19	forms	form	NOUN
eurjchem-827	91	20	of	of	ADP
eurjchem-827	91	21	the	the	DET
eurjchem-827	91	22	ligand	ligand	NOUN
eurjchem-827	91	23	and	and	CCONJ
eurjchem-827	91	24	their	their	PRON
eurjchem-827	91	25	conformers	conformer	NOUN
eurjchem-827	91	26	for	for	ADP
eurjchem-827	91	27	which	which	PRON
eurjchem-827	91	28	we	we	PRON
eurjchem-827	91	29	performed	perform	VERB
eurjchem-827	91	30	the	the	DET
eurjchem-827	91	31	calculations	calculation	NOUN
eurjchem-827	91	32	,	,	PUNCT
eurjchem-827	91	33	with	with	ADP
eurjchem-827	91	34	the	the	DET
eurjchem-827	91	35	numbering	numbering	NOUN
eurjchem-827	91	36	scheme	scheme	NOUN
eurjchem-827	91	37	and	and	CCONJ
eurjchem-827	91	38	the	the	DET
eurjchem-827	91	39	nomenclature	nomenclature	NOUN
eurjchem-827	91	40	used	use	VERB
eurjchem-827	91	41	in	in	ADP
eurjchem-827	91	42	this	this	DET
eurjchem-827	91	43	paper	paper	NOUN
eurjchem-827	91	44	.	.	PUNCT
eurjchem-827	92	1	the	the	DET
eurjchem-827	92	2	two	two	NUM
eurjchem-827	92	3	groups	group	NOUN
eurjchem-827	92	4	of	of	ADP
eurjchem-827	92	5	structures	structure	NOUN
eurjchem-827	92	6	correspond	correspond	VERB
eurjchem-827	92	7	to	to	ADP
eurjchem-827	92	8	two	two	NUM
eurjchem-827	92	9	classes	class	NOUN
eurjchem-827	92	10	of	of	ADP
eurjchem-827	92	11	tautomers	tautomer	NOUN
eurjchem-827	92	12	:	:	PUNCT
eurjchem-827	92	13	thione	thione	PROPN
eurjchem-827	92	14	(	(	PUNCT
eurjchem-827	92	15	thione‐1	thione‐1	PROPN
eurjchem-827	92	16	,	,	PUNCT
eurjchem-827	92	17	thione‐2	thione‐2	PROPN
eurjchem-827	92	18	,	,	PUNCT
eurjchem-827	92	19	thione‐3	thione‐3	PART
eurjchem-827	92	20	)	)	PUNCT
eurjchem-827	92	21	and	and	CCONJ
eurjchem-827	92	22	thiol	thiol	PROPN
eurjchem-827	92	23	(	(	PUNCT
eurjchem-827	92	24	thiol‐1	thiol‐1	NOUN
eurjchem-827	92	25	,	,	PUNCT
eurjchem-827	92	26	thiol‐2	thiol‐2	NUM
eurjchem-827	92	27	,	,	PUNCT
eurjchem-827	92	28	thiol‐3‐(r1	thiol‐3‐(r1	X
eurjchem-827	92	29	and	and	CCONJ
eurjchem-827	92	30	r2	r2	PROPN
eurjchem-827	92	31	)	)	PUNCT
eurjchem-827	92	32	)	)	PUNCT
eurjchem-827	92	33	.	.	PUNCT
eurjchem-827	93	1	the	the	DET
eurjchem-827	93	2	analysis	analysis	NOUN
eurjchem-827	93	3	of	of	ADP
eurjchem-827	93	4	the	the	DET
eurjchem-827	93	5	conformational	conformational	ADJ
eurjchem-827	93	6	species	specie	NOUN
eurjchem-827	93	7	of	of	ADP
eurjchem-827	93	8	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐	NUM
eurjchem-827	93	9	dihydro‐3h‐1,2,4‐triazole‐3‐thione	dihydro‐3h‐1,2,4‐triazole‐3‐thione	NOUN
eurjchem-827	93	10	must	must	AUX
eurjchem-827	93	11	take	take	VERB
eurjchem-827	93	12	into	into	ADP
eurjchem-827	93	13	conside‐	conside‐	PROPN
eurjchem-827	93	14	ration	ration	VERB
eurjchem-827	93	15	the	the	DET
eurjchem-827	93	16	rotation	rotation	NOUN
eurjchem-827	93	17	around	around	ADP
eurjchem-827	93	18	c2‐c7	c2‐c7	NOUN
eurjchem-827	93	19	(	(	PUNCT
eurjchem-827	93	20	see	see	VERB
eurjchem-827	93	21	figure	figure	NOUN
eurjchem-827	93	22	2	2	NUM
eurjchem-827	93	23	)	)	PUNCT
eurjchem-827	93	24	leading	lead	VERB
eurjchem-827	93	25	to	to	ADP
eurjchem-827	93	26	various	various	ADJ
eurjchem-827	93	27	low	low	ADJ
eurjchem-827	93	28	energy	energy	NOUN
eurjchem-827	93	29	conformers	conformer	NOUN
eurjchem-827	93	30	for	for	ADP
eurjchem-827	93	31	both	both	DET
eurjchem-827	93	32	tautomers	tautomer	NOUN
eurjchem-827	93	33	.	.	PUNCT
eurjchem-827	94	1	the	the	DET
eurjchem-827	94	2	relative	relative	ADJ
eurjchem-827	94	3	energies	energy	NOUN
eurjchem-827	94	4	of	of	ADP
eurjchem-827	94	5	both	both	DET
eurjchem-827	94	6	tautomers	tautomer	NOUN
eurjchem-827	94	7	and	and	CCONJ
eurjchem-827	94	8	their	their	PRON
eurjchem-827	94	9	conformers	conformer	NOUN
eurjchem-827	94	10	obtained	obtain	VERB
eurjchem-827	94	11	in	in	ADP
eurjchem-827	94	12	gas	gas	NOUN
eurjchem-827	94	13	phase	phase	NOUN
eurjchem-827	94	14	,	,	PUNCT
eurjchem-827	94	15	after	after	ADP
eurjchem-827	94	16	including	include	VERB
eurjchem-827	94	17	the	the	DET
eurjchem-827	94	18	zpve	zpve	NOUN
eurjchem-827	94	19	corrections	correction	NOUN
eurjchem-827	94	20	,	,	PUNCT
eurjchem-827	94	21	are	be	AUX
eurjchem-827	94	22	given	give	VERB
eurjchem-827	94	23	in	in	ADP
eurjchem-827	94	24	table	table	NOUN
eurjchem-827	94	25	1	1	NUM
eurjchem-827	94	26	.	.	PUNCT
eurjchem-827	95	1	the	the	DET
eurjchem-827	95	2	first	first	ADJ
eurjchem-827	95	3	conspicuous	conspicuous	ADJ
eurjchem-827	95	4	fact	fact	NOUN
eurjchem-827	95	5	is	be	AUX
eurjchem-827	95	6	that	that	SCONJ
eurjchem-827	95	7	the	the	DET
eurjchem-827	95	8	thione‐1	thione‐1	PROPN
eurjchem-827	95	9	conformer	conformer	NOUN
eurjchem-827	95	10	of	of	ADP
eurjchem-827	95	11	thione	thione	VERB
eurjchem-827	95	12	tautomeric	tautomeric	ADJ
eurjchem-827	95	13	form	form	NOUN
eurjchem-827	95	14	is	be	AUX
eurjchem-827	95	15	the	the	DET
eurjchem-827	95	16	global	global	ADJ
eurjchem-827	95	17	minimum	minimum	NOUN
eurjchem-827	95	18	of	of	ADP
eurjchem-827	95	19	the	the	DET
eurjchem-827	95	20	potential	potential	ADJ
eurjchem-827	95	21	energy	energy	NOUN
eurjchem-827	95	22	surface	surface	NOUN
eurjchem-827	95	23	in	in	ADP
eurjchem-827	95	24	gas	gas	NOUN
eurjchem-827	95	25	phase	phase	NOUN
eurjchem-827	95	26	followed	follow	VERB
eurjchem-827	95	27	directly	directly	ADV
eurjchem-827	95	28	by	by	ADP
eurjchem-827	95	29	thione‐2	thione‐2	X
eurjchem-827	95	30	with	with	ADP
eurjchem-827	95	31	a	a	DET
eurjchem-827	95	32	difference	difference	NOUN
eurjchem-827	95	33	of	of	ADP
eurjchem-827	95	34	energy	energy	NOUN
eurjchem-827	95	35	of	of	ADP
eurjchem-827	95	36	1.61	1.61	NUM
eurjchem-827	95	37	kcal	kcal	NOUN
eurjchem-827	95	38	/	/	SYM
eurjchem-827	95	39	mol	mol	PROPN
eurjchem-827	95	40	.	.	PUNCT
eurjchem-827	96	1	this	this	DET
eurjchem-827	96	2	dft	dft	PROPN
eurjchem-827	96	3	calculation	calculation	NOUN
eurjchem-827	96	4	is	be	AUX
eurjchem-827	96	5	in	in	ADP
eurjchem-827	96	6	good	good	ADJ
eurjchem-827	96	7	agreement	agreement	NOUN
eurjchem-827	96	8	with	with	ADP
eurjchem-827	96	9	the	the	DET
eurjchem-827	96	10	x‐ray	x‐ray	PROPN
eurjchem-827	97	1	[	[	X
eurjchem-827	97	2	9	9	NUM
eurjchem-827	97	3	]	]	PUNCT
eurjchem-827	97	4	and	and	CCONJ
eurjchem-827	97	5	ftir	ftir	PROPN
eurjchem-827	97	6	spectroscopic	spectroscopic	PROPN
eurjchem-827	97	7	data	datum	NOUN
eurjchem-827	97	8	discussed	discuss	VERB
eurjchem-827	97	9	above	above	ADV
eurjchem-827	97	10	,	,	PUNCT
eurjchem-827	97	11	indicating	indicate	VERB
eurjchem-827	97	12	that	that	SCONJ
eurjchem-827	97	13	in	in	ADP
eurjchem-827	97	14	solid	solid	ADJ
eurjchem-827	97	15	state	state	NOUN
eurjchem-827	97	16	the	the	DET
eurjchem-827	97	17	parent	parent	NOUN
eurjchem-827	97	18	compound	compound	NOUN
eurjchem-827	97	19	exist	exist	VERB
eurjchem-827	97	20	in	in	ADP
eurjchem-827	97	21	thione	thione	ADJ
eurjchem-827	97	22	tautomer	tautomer	NOUN
eurjchem-827	97	23	.	.	PUNCT
eurjchem-827	98	1	the	the	DET
eurjchem-827	98	2	crystal	crystal	NOUN
eurjchem-827	98	3	structure	structure	NOUN
eurjchem-827	98	4	of	of	ADP
eurjchem-827	98	5	the	the	DET
eurjchem-827	98	6	ligand	ligand	NOUN
eurjchem-827	98	7	reported	report	VERB
eurjchem-827	98	8	by	by	ADP
eurjchem-827	98	9	dinçer	dinçer	PROPN
eurjchem-827	98	10	et	et	PROPN
eurjchem-827	98	11	al	al	PROPN
eurjchem-827	98	12	.	.	PUNCT
eurjchem-827	99	1	[	[	X
eurjchem-827	99	2	9	9	NUM
eurjchem-827	99	3	]	]	PUNCT
eurjchem-827	99	4	is	be	AUX
eurjchem-827	99	5	topologically	topologically	ADV
eurjchem-827	99	6	similar	similar	ADJ
eurjchem-827	99	7	to	to	ADP
eurjchem-827	99	8	the	the	DET
eurjchem-827	99	9	global	global	ADJ
eurjchem-827	99	10	minimum	minimum	NOUN
eurjchem-827	99	11	thione‐1	thione‐1	NUM
eurjchem-827	99	12	obtained	obtain	VERB
eurjchem-827	99	13	by	by	ADP
eurjchem-827	99	14	dft	dft	PROPN
eurjchem-827	99	15	calculation	calculation	NOUN
eurjchem-827	99	16	in	in	ADP
eurjchem-827	99	17	gas	gas	NOUN
eurjchem-827	99	18	phase	phase	NOUN
eurjchem-827	99	19	.	.	PUNCT
eurjchem-827	100	1	notice	notice	VERB
eurjchem-827	100	2	that	that	SCONJ
eurjchem-827	100	3	the	the	DET
eurjchem-827	100	4	energy	energy	NOUN
eurjchem-827	100	5	gap	gap	NOUN
eurjchem-827	100	6	between	between	ADP
eurjchem-827	100	7	thione	thione	PROPN
eurjchem-827	100	8	(	(	PUNCT
eurjchem-827	100	9	thione‐1	thione‐1	NOUN
eurjchem-827	100	10	)	)	PUNCT
eurjchem-827	100	11	form	form	NOUN
eurjchem-827	100	12	and	and	CCONJ
eurjchem-827	100	13	the	the	DET
eurjchem-827	100	14	most	most	ADV
eurjchem-827	100	15	stable	stable	ADJ
eurjchem-827	100	16	thiol	thiol	NOUN
eurjchem-827	100	17	tautomer	tautomer	NOUN
eurjchem-827	100	18	(	(	PUNCT
eurjchem-827	100	19	thiol‐1	thiol‐1	NOUN
eurjchem-827	100	20	)	)	PUNCT
eurjchem-827	100	21	is	be	AUX
eurjchem-827	100	22	relatively	relatively	ADV
eurjchem-827	100	23	important	important	ADJ
eurjchem-827	100	24	,	,	PUNCT
eurjchem-827	100	25	about	about	ADV
eurjchem-827	100	26	12.23	12.23	NUM
eurjchem-827	100	27	kcal	kcal	NOUN
eurjchem-827	100	28	/	/	SYM
eurjchem-827	100	29	mol	mol	PROPN
eurjchem-827	100	30	.	.	PUNCT
eurjchem-827	101	1	among	among	ADP
eurjchem-827	101	2	a	a	DET
eurjchem-827	101	3	number	number	NOUN
eurjchem-827	101	4	of	of	ADP
eurjchem-827	101	5	physical	physical	ADJ
eurjchem-827	101	6	and	and	CCONJ
eurjchem-827	101	7	chemical	chemical	ADJ
eurjchem-827	101	8	factors	factor	NOUN
eurjchem-827	101	9	that	that	PRON
eurjchem-827	101	10	are	be	AUX
eurjchem-827	101	11	responsible	responsible	ADJ
eurjchem-827	101	12	for	for	ADP
eurjchem-827	101	13	the	the	DET
eurjchem-827	101	14	tautomeric	tautomeric	ADJ
eurjchem-827	101	15	equilibrium	equilibrium	NOUN
eurjchem-827	101	16	,	,	PUNCT
eurjchem-827	101	17	solvation	solvation	NOUN
eurjchem-827	101	18	occupies	occupy	VERB
eurjchem-827	101	19	one	one	NUM
eurjchem-827	101	20	of	of	ADP
eurjchem-827	101	21	the	the	DET
eurjchem-827	101	22	most	most	ADV
eurjchem-827	101	23	important	important	ADJ
eurjchem-827	101	24	roles	role	NOUN
eurjchem-827	101	25	.	.	PUNCT
eurjchem-827	102	1	the	the	DET
eurjchem-827	102	2	energetic	energetic	ADJ
eurjchem-827	102	3	parameters	parameter	NOUN
eurjchem-827	102	4	of	of	ADP
eurjchem-827	102	5	the	the	DET
eurjchem-827	102	6	tautomeric	tautomeric	ADJ
eurjchem-827	102	7	forms	form	NOUN
eurjchem-827	102	8	in	in	ADP
eurjchem-827	102	9	the	the	DET
eurjchem-827	102	10	aqueous	aqueous	ADJ
eurjchem-827	102	11	phase	phase	NOUN
eurjchem-827	102	12	(	(	PUNCT
eurjchem-827	102	13	e	e	NOUN
eurjchem-827	102	14	=	=	SYM
eurjchem-827	102	15	78.5	78.5	NUM
eurjchem-827	102	16	)	)	PUNCT
eurjchem-827	102	17	obtained	obtain	VERB
eurjchem-827	102	18	with	with	ADP
eurjchem-827	102	19	cpcm	cpcm	PROPN
eurjchem-827	102	20	continuum	continuum	PROPN
eurjchem-827	102	21	model	model	NOUN
eurjchem-827	102	22	of	of	ADP
eurjchem-827	102	23	solvation	solvation	NOUN
eurjchem-827	102	24	at	at	ADP
eurjchem-827	102	25	b3lyp/6‐	b3lyp/6‐	X
eurjchem-827	102	26	31+g(d	31+g(d	NUM
eurjchem-827	102	27	,	,	PUNCT
eurjchem-827	102	28	p	p	NOUN
eurjchem-827	102	29	)	)	PUNCT
eurjchem-827	102	30	level	level	NOUN
eurjchem-827	102	31	are	be	AUX
eurjchem-827	102	32	also	also	ADV
eurjchem-827	102	33	listed	list	VERB
eurjchem-827	102	34	in	in	ADP
eurjchem-827	102	35	table	table	NOUN
eurjchem-827	102	36	1	1	NUM
eurjchem-827	102	37	.	.	PUNCT
eurjchem-827	102	38	using	use	VERB
eurjchem-827	102	39	solvent	solvent	ADJ
eurjchem-827	102	40	effects	effect	NOUN
eurjchem-827	102	41	(	(	PUNCT
eurjchem-827	102	42	cpmc	cpmc	PROPN
eurjchem-827	102	43	model	model	NOUN
eurjchem-827	102	44	)	)	PUNCT
eurjchem-827	102	45	,	,	PUNCT
eurjchem-827	102	46	the	the	DET
eurjchem-827	102	47	energy	energy	NOUN
eurjchem-827	102	48	difference	difference	NOUN
eurjchem-827	102	49	indicate	indicate	VERB
eurjchem-827	102	50	that	that	SCONJ
eurjchem-827	102	51	the	the	DET
eurjchem-827	102	52	thione	thione	NOUN
eurjchem-827	102	53	tautomer	tautomer	NOUN
eurjchem-827	102	54	is	be	AUX
eurjchem-827	102	55	still	still	ADV
eurjchem-827	102	56	more	more	ADV
eurjchem-827	102	57	stable	stable	ADJ
eurjchem-827	102	58	than	than	ADP
eurjchem-827	102	59	thiol	thiol	ADJ
eurjchem-827	102	60	form	form	NOUN
eurjchem-827	102	61	,	,	PUNCT
eurjchem-827	102	62	this	this	DET
eurjchem-827	102	63	relative	relative	ADJ
eurjchem-827	102	64	energy	energy	NOUN
eurjchem-827	102	65	is	be	AUX
eurjchem-827	102	66	too	too	ADV
eurjchem-827	102	67	high	high	ADJ
eurjchem-827	102	68	to	to	PART
eurjchem-827	102	69	allow	allow	VERB
eurjchem-827	102	70	a	a	DET
eurjchem-827	102	71	significant	significant	ADJ
eurjchem-827	102	72	population	population	NOUN
eurjchem-827	102	73	of	of	ADP
eurjchem-827	102	74	the	the	DET
eurjchem-827	102	75	thiol	thiol	ADJ
eurjchem-827	102	76	tautomer	tautomer	NOUN
eurjchem-827	102	77	at	at	ADP
eurjchem-827	102	78	room	room	NOUN
eurjchem-827	102	79	temperature	temperature	NOUN
eurjchem-827	102	80	to	to	PART
eurjchem-827	102	81	be	be	AUX
eurjchem-827	102	82	formed	form	VERB
eurjchem-827	102	83	.	.	PUNCT
eurjchem-827	103	1	288	288	NUM
eurjchem-827	103	2	lechani	lechani	NOUN
eurjchem-827	103	3	et	et	PROPN
eurjchem-827	103	4	al	al	PROPN
eurjchem-827	103	5	.	.	PUNCT
eurjchem-827	103	6	/	/	SYM
eurjchem-827	103	7	european	european	PROPN
eurjchem-827	103	8	journal	journal	PROPN
eurjchem-827	103	9	of	of	ADP
eurjchem-827	103	10	chemistry	chemistry	NOUN
eurjchem-827	103	11	4	4	NUM
eurjchem-827	103	12	(	(	PUNCT
eurjchem-827	103	13	3	3	NUM
eurjchem-827	103	14	)	)	PUNCT
eurjchem-827	103	15	(	(	PUNCT
eurjchem-827	103	16	2013	2013	NUM
eurjchem-827	103	17	)	)	PUNCT
eurjchem-827	103	18	285‐291	285‐291	NUM
eurjchem-827	103	19	table	table	NOUN
eurjchem-827	103	20	1	1	NUM
eurjchem-827	103	21	.	.	PUNCT
eurjchem-827	103	22	zero‐point	zero‐point	AUX
eurjchem-827	103	23	corrected	correct	VERB
eurjchem-827	103	24	total	total	ADJ
eurjchem-827	103	25	energies	energy	NOUN
eurjchem-827	103	26	e0+zpve	e0+zpve	X
eurjchem-827	103	27	(	(	PUNCT
eurjchem-827	103	28	a.u	a.u	PROPN
eurjchem-827	103	29	.	.	PROPN
eurjchem-827	103	30	)	)	PUNCT
eurjchem-827	103	31	,	,	PUNCT
eurjchem-827	103	32	relative	relative	ADJ
eurjchem-827	103	33	energies	energy	NOUN
eurjchem-827	103	34	δe(zpve	δe(zpve	PRON
eurjchem-827	103	35	)	)	PUNCT
eurjchem-827	103	36	(	(	PUNCT
eurjchem-827	103	37	kcal	kcal	NOUN
eurjchem-827	103	38	/	/	SYM
eurjchem-827	103	39	mol	mol	NOUN
eurjchem-827	103	40	)	)	PUNCT
eurjchem-827	103	41	in	in	ADP
eurjchem-827	103	42	gas	gas	NOUN
eurjchem-827	103	43	aqueous	aqueous	ADJ
eurjchem-827	103	44	phases	phase	NOUN
eurjchem-827	103	45	and	and	CCONJ
eurjchem-827	103	46	dipole	dipole	NOUN
eurjchem-827	103	47	moment	moment	NOUN
eurjchem-827	103	48	µ	µ	X
eurjchem-827	103	49	(	(	PUNCT
eurjchem-827	103	50	debye	debye	ADJ
eurjchem-827	103	51	)	)	PUNCT
eurjchem-827	103	52	.	.	PUNCT
eurjchem-827	104	1	at	at	ADP
eurjchem-827	104	2	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	104	3	,	,	PUNCT
eurjchem-827	104	4	p	p	NOUN
eurjchem-827	104	5	)	)	PUNCT
eurjchem-827	104	6	level	level	NOUN
eurjchem-827	104	7	of	of	ADP
eurjchem-827	104	8	theory	theory	NOUN
eurjchem-827	104	9	.	.	PUNCT
eurjchem-827	105	1	structures	structure	NOUN
eurjchem-827	105	2	gas	gas	NOUN
eurjchem-827	105	3	phase	phase	NOUN
eurjchem-827	105	4	aqueous	aqueous	ADJ
eurjchem-827	105	5	phase	phase	NOUN
eurjchem-827	105	6	e0+zpve	e0+zpve	X
eurjchem-827	105	7	δe(zpve	δe(zpve	X
eurjchem-827	105	8	)	)	PUNCT
eurjchem-827	105	9	µ	µ	PRON
eurjchem-827	105	10	e0	e0	PROPN
eurjchem-827	105	11	δe0	δe0	PROPN
eurjchem-827	105	12	δgs	δg	VERB
eurjchem-827	105	13	µ	µ	PRON
eurjchem-827	105	14	thiol‐1	thiol‐1	NOUN
eurjchem-827	105	15	‐1001.918054	‐1001.918054	ADP
eurjchem-827	105	16	12.23	12.23	NUM
eurjchem-827	105	17	5.74	5.74	NUM
eurjchem-827	105	18	‐1002.099294	‐1002.099294	NUM
eurjchem-827	105	19	13.76	13.76	NUM
eurjchem-827	105	20	‐3.85	‐3.85	NUM
eurjchem-827	105	21	8.15	8.15	NUM
eurjchem-827	105	22	thiol‐2	thiol‐2	ADP
eurjchem-827	105	23	‐1001.908315	‐1001.908315	PROPN
eurjchem-827	105	24	18.34	18.34	NUM
eurjchem-827	105	25	4.73	4.73	NUM
eurjchem-827	105	26	‐1002.095605	‐1002.095605	X
eurjchem-827	105	27	16.08	16.08	NUM
eurjchem-827	105	28	‐7.36	‐7.36	NOUN
eurjchem-827	105	29	6.88	6.88	NUM
eurjchem-827	105	30	thiol‐3‐r1	thiol‐3‐r1	NOUN
eurjchem-827	105	31	‐1001.908453	‐1001.908453	NUM
eurjchem-827	105	32	18.26	18.26	NUM
eurjchem-827	105	33	8.21	8.21	NUM
eurjchem-827	105	34	‐1002.095614	‐1002.095614	NUM
eurjchem-827	105	35	16.07	16.07	NUM
eurjchem-827	105	36	‐7.26	‐7.26	X
eurjchem-827	105	37	11.48	11.48	NUM
eurjchem-827	105	38	thiol‐3‐r2	thiol‐3‐r2	NOUN
eurjchem-827	105	39	‐1001.908973	‐1001.908973	NUM
eurjchem-827	105	40	17.93	17.93	NUM
eurjchem-827	105	41	6.37	6.37	NUM
eurjchem-827	105	42	‐1002.095379	‐1002.095379	NOUN
eurjchem-827	105	43	16.22	16.22	NUM
eurjchem-827	105	44	‐6.31	‐6.31	ADP
eurjchem-827	105	45	8.87	8.87	NUM
eurjchem-827	105	46	thione‐1	thione‐1	NUM
eurjchem-827	105	47	‐1001.937552	‐1001.937552	X
eurjchem-827	105	48	00.00	00.00	NUM
eurjchem-827	105	49	1.86	1.86	NUM
eurjchem-827	105	50	‐1002.120591	‐1002.120591	NUM
eurjchem-827	105	51	00.40	00.40	NUM
eurjchem-827	105	52	‐2.62	‐2.62	NUM
eurjchem-827	105	53	2.77	2.77	NUM
eurjchem-827	105	54	thione‐2	thione‐2	NUM
eurjchem-827	105	55	‐1001.934985	‐1001.934985	ADP
eurjchem-827	105	56	01.61	01.61	NUM
eurjchem-827	105	57	2.56	2.56	NUM
eurjchem-827	105	58	‐1002.121233	‐1002.121233	NUM
eurjchem-827	105	59	00.00	00.00	NUM
eurjchem-827	105	60	‐4.18	‐4.18	NUM
eurjchem-827	105	61	3.74	3.74	NUM
eurjchem-827	105	62	thione‐3	thione‐3	NOUN
eurjchem-827	105	63	‐1001.921485	‐1001.921485	PROPN
eurjchem-827	105	64	10.08	10.08	NUM
eurjchem-827	105	65	8.15	8.15	NUM
eurjchem-827	105	66	‐1002.115207	‐1002.115207	NOUN
eurjchem-827	105	67	03.78	03.78	NUM
eurjchem-827	105	68	‐8.76	‐8.76	PROPN
eurjchem-827	105	69	11.11	11.11	NUM
eurjchem-827	105	70	table	table	NOUN
eurjchem-827	105	71	2	2	NUM
eurjchem-827	105	72	.	.	PUNCT
eurjchem-827	105	73	important	important	ADJ
eurjchem-827	105	74	geometric	geometric	ADJ
eurjchem-827	105	75	parameters	parameter	NOUN
eurjchem-827	105	76	and	and	CCONJ
eurjchem-827	105	77	optimized	optimize	VERB
eurjchem-827	105	78	hydrogen	hydrogen	NOUN
eurjchem-827	105	79	bonds	bond	NOUN
eurjchem-827	105	80	of	of	ADP
eurjchem-827	105	81	the	the	DET
eurjchem-827	105	82	thione‐1	thione‐1	PROPN
eurjchem-827	105	83	obtained	obtain	VERB
eurjchem-827	105	84	at	at	ADP
eurjchem-827	105	85	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	105	86	,	,	PUNCT
eurjchem-827	105	87	p	p	NOUN
eurjchem-827	105	88	)	)	PUNCT
eurjchem-827	105	89	.	.	PUNCT
eurjchem-827	106	1	for	for	ADP
eurjchem-827	106	2	numbering	numbering	NOUN
eurjchem-827	106	3	of	of	ADP
eurjchem-827	106	4	the	the	DET
eurjchem-827	106	5	atoms	atom	NOUN
eurjchem-827	106	6	see	see	VERB
eurjchem-827	106	7	figure	figure	NOUN
eurjchem-827	106	8	2	2	NUM
eurjchem-827	106	9	.	.	PUNCT
eurjchem-827	106	10	bonds	bond	NOUN
eurjchem-827	106	11	lengths	length	NOUN
eurjchem-827	106	12	(	(	PUNCT
eurjchem-827	106	13	å	å	NOUN
eurjchem-827	106	14	)	)	PUNCT
eurjchem-827	106	15	thione‐1	thione‐1	PROPN
eurjchem-827	106	16	exp	exp	NOUN
eurjchem-827	106	17	.	.	PUNCT
eurjchem-827	107	1	a	a	DET
eurjchem-827	107	2	bond	bond	NOUN
eurjchem-827	107	3	angle	angle	NOUN
eurjchem-827	107	4	(	(	PUNCT
eurjchem-827	107	5	°	°	NOUN
eurjchem-827	107	6	)	)	PUNCT
eurjchem-827	107	7	thione‐1	thione‐1	PROPN
eurjchem-827	107	8	exp	exp	NOUN
eurjchem-827	107	9	.	.	PUNCT
eurjchem-827	108	1	a	a	DET
eurjchem-827	108	2	dihedral	dihedral	ADJ
eurjchem-827	108	3	angle	angle	NOUN
eurjchem-827	108	4	(	(	PUNCT
eurjchem-827	108	5	°	°	PROPN
eurjchem-827	108	6	)	)	PUNCT
eurjchem-827	108	7	thione‐1	thione‐1	PROPN
eurjchem-827	108	8	exp	exp	NOUN
eurjchem-827	108	9	.	.	PUNCT
eurjchem-827	109	1	a	a	DET
eurjchem-827	109	2	s	s	PROPN
eurjchem-827	109	3	=	=	NOUN
eurjchem-827	109	4	c8	c8	NOUN
eurjchem-827	109	5	1.667	1.667	NUM
eurjchem-827	109	6	1.677	1.677	NUM
eurjchem-827	109	7	<	<	NOUN
eurjchem-827	109	8	s‐c8‐n1	s‐c8‐n1	PROPN
eurjchem-827	109	9	127.4	127.4	NUM
eurjchem-827	109	10	125.9	125.9	NUM
eurjchem-827	109	11	n2‐c7‐c2‐c1	n2‐c7‐c2‐c1	NOUN
eurjchem-827	109	12	0.003	0.003	NUM
eurjchem-827	109	13	10.9	10.9	NUM
eurjchem-827	109	14	c2‐c7	c2‐c7	NOUN
eurjchem-827	109	15	1.463	1.463	NUM
eurjchem-827	109	16	‐	‐	NOUN
eurjchem-827	109	17	<	<	X
eurjchem-827	109	18	n2‐n3‐c8	n2‐n3‐c8	PROPN
eurjchem-827	109	19	113.7	113.7	NUM
eurjchem-827	109	20	112.9	112.9	NUM
eurjchem-827	109	21	n1‐n4	n1‐n4	NUM
eurjchem-827	109	22	1.397	1.397	NUM
eurjchem-827	109	23	1.399	1.399	NUM
eurjchem-827	109	24	<	<	NOUN
eurjchem-827	109	25	o‐h∙∙∙∙n2	o‐h∙∙∙∙n2	NOUN
eurjchem-827	109	26	143.4	143.4	NUM
eurjchem-827	109	27	140.2	140.2	NUM
eurjchem-827	109	28	oh∙∙∙∙n2	oh∙∙∙∙n2	ADP
eurjchem-827	109	29	1.766	1.766	NUM
eurjchem-827	109	30	1.893	1.893	NUM
eurjchem-827	109	31	<	<	NOUN
eurjchem-827	109	32	n4‐h∙∙∙∙s	n4‐h∙∙∙∙s	PROPN
eurjchem-827	109	33	88.8	88.8	NUM
eurjchem-827	109	34	108.3	108.3	NUM
eurjchem-827	109	35	n4h∙∙∙∙s	n4h∙∙∙∙s	NOUN
eurjchem-827	109	36	3.029	3.029	NUM
eurjchem-827	109	37	2.734	2.734	NUM
eurjchem-827	109	38	<	<	X
eurjchem-827	109	39	c3‐h∙∙∙∙n4	c3‐h∙∙∙∙n4	ADP
eurjchem-827	109	40	126.6	126.6	NUM
eurjchem-827	109	41	125.2	125.2	NUM
eurjchem-827	109	42	c3h∙∙∙∙n4	c3h∙∙∙∙n4	NOUN
eurjchem-827	109	43	2.265	2.265	NUM
eurjchem-827	109	44	2.352	2.352	NUM
eurjchem-827	109	45	<	<	NOUN
eurjchem-827	109	46	s‐c8‐n1	s‐c8‐n1	NOUN
eurjchem-827	109	47	127.4	127.4	NUM
eurjchem-827	109	48	125.9	125.9	NUM
eurjchem-827	109	49	a	a	DET
eurjchem-827	109	50	ref	ref	NOUN
eurjchem-827	109	51	.	.	PUNCT
eurjchem-827	110	1	[	[	X
eurjchem-827	110	2	9	9	NUM
eurjchem-827	110	3	]	]	PUNCT
eurjchem-827	110	4	.	.	PUNCT
eurjchem-827	111	1	it	it	PRON
eurjchem-827	111	2	is	be	AUX
eurjchem-827	111	3	worth	worth	ADJ
eurjchem-827	111	4	to	to	PART
eurjchem-827	111	5	mention	mention	VERB
eurjchem-827	111	6	that	that	SCONJ
eurjchem-827	111	7	the	the	DET
eurjchem-827	111	8	presence	presence	NOUN
eurjchem-827	111	9	of	of	ADP
eurjchem-827	111	10	a	a	DET
eurjchem-827	111	11	solvent	solvent	NOUN
eurjchem-827	111	12	modify	modify	VERB
eurjchem-827	111	13	the	the	DET
eurjchem-827	111	14	hierarchy	hierarchy	NOUN
eurjchem-827	111	15	only	only	ADV
eurjchem-827	111	16	between	between	ADP
eurjchem-827	111	17	thione‐1	thione‐1	PROPN
eurjchem-827	111	18	and	and	CCONJ
eurjchem-827	111	19	thione‐2	thione‐2	ADP
eurjchem-827	111	20	conformers	conformer	NOUN
eurjchem-827	111	21	,	,	PUNCT
eurjchem-827	111	22	the	the	DET
eurjchem-827	111	23	most	most	ADV
eurjchem-827	111	24	stable	stable	ADJ
eurjchem-827	111	25	becomes	become	VERB
eurjchem-827	111	26	thione‐2	thione‐2	ADP
eurjchem-827	111	27	.	.	PUNCT
eurjchem-827	112	1	from	from	ADP
eurjchem-827	112	2	this	this	DET
eurjchem-827	112	3	point	point	NOUN
eurjchem-827	112	4	,	,	PUNCT
eurjchem-827	112	5	we	we	PRON
eurjchem-827	112	6	can	can	AUX
eurjchem-827	112	7	conclude	conclude	VERB
eurjchem-827	112	8	that	that	SCONJ
eurjchem-827	112	9	the	the	DET
eurjchem-827	112	10	polarity	polarity	NOUN
eurjchem-827	112	11	of	of	ADP
eurjchem-827	112	12	the	the	DET
eurjchem-827	112	13	water	water	NOUN
eurjchem-827	112	14	has	have	VERB
eurjchem-827	112	15	great	great	ADJ
eurjchem-827	112	16	effects	effect	NOUN
eurjchem-827	112	17	on	on	ADP
eurjchem-827	112	18	the	the	DET
eurjchem-827	112	19	structures	structure	NOUN
eurjchem-827	112	20	of	of	ADP
eurjchem-827	112	21	the	the	DET
eurjchem-827	112	22	thione	thione	ADJ
eurjchem-827	112	23	conformers	conformer	NOUN
eurjchem-827	112	24	.	.	PUNCT
eurjchem-827	113	1	the	the	DET
eurjchem-827	113	2	overall	overall	ADJ
eurjchem-827	113	3	succession	succession	NOUN
eurjchem-827	113	4	of	of	ADP
eurjchem-827	113	5	the	the	DET
eurjchem-827	113	6	studied	study	VERB
eurjchem-827	113	7	structures	structure	NOUN
eurjchem-827	113	8	is	be	AUX
eurjchem-827	113	9	the	the	DET
eurjchem-827	113	10	following	following	NOUN
eurjchem-827	113	11	:	:	PUNCT
eurjchem-827	113	12	thione‐1	thione‐1	PROPN
eurjchem-827	114	1	≈	≈	INTJ
eurjchem-827	114	2	thione‐2	thione‐2	INTJ
eurjchem-827	114	3	>	>	X
eurjchem-827	114	4	thione‐3	thione‐3	PUNCT
eurjchem-827	114	5	>	>	PUNCT
eurjchem-827	114	6	thiol‐1	thiol‐1	NOUN
eurjchem-827	114	7	>	>	X
eurjchem-827	114	8	thiol‐2	thiol‐2	PART
eurjchem-827	114	9	>	>	PUNCT
eurjchem-827	114	10	thiol‐3‐r1	thiol‐3‐r1	VERB
eurjchem-827	114	11	>	>	X
eurjchem-827	114	12	thiol‐3‐r2	thiol‐3‐r2	PROPN
eurjchem-827	114	13	.	.	PUNCT
eurjchem-827	114	14	noteworthy	noteworthy	ADJ
eurjchem-827	114	15	that	that	SCONJ
eurjchem-827	114	16	the	the	DET
eurjchem-827	114	17	relative	relative	ADJ
eurjchem-827	114	18	energy	energy	NOUN
eurjchem-827	114	19	differences	difference	NOUN
eurjchem-827	114	20	between	between	ADP
eurjchem-827	114	21	thione‐1	thione‐1	PROPN
eurjchem-827	114	22	and	and	CCONJ
eurjchem-827	114	23	thione‐2	thione‐2	PROPN
eurjchem-827	114	24	is	be	AUX
eurjchem-827	114	25	very	very	ADV
eurjchem-827	114	26	small	small	ADJ
eurjchem-827	114	27	,	,	PUNCT
eurjchem-827	114	28	then	then	ADV
eurjchem-827	114	29	it	it	PRON
eurjchem-827	114	30	is	be	AUX
eurjchem-827	114	31	very	very	ADV
eurjchem-827	114	32	likely	likely	ADJ
eurjchem-827	114	33	that	that	SCONJ
eurjchem-827	114	34	1,2,4‐triazole‐3‐thione	1,2,4‐triazole‐3‐thione	NOUN
eurjchem-827	114	35	exists	exist	VERB
eurjchem-827	114	36	mostly	mostly	ADV
eurjchem-827	114	37	in	in	ADP
eurjchem-827	114	38	a	a	DET
eurjchem-827	114	39	mixture	mixture	NOUN
eurjchem-827	114	40	of	of	ADP
eurjchem-827	114	41	these	these	DET
eurjchem-827	114	42	two	two	NUM
eurjchem-827	114	43	conformers	conformer	NOUN
eurjchem-827	114	44	in	in	ADP
eurjchem-827	114	45	the	the	DET
eurjchem-827	114	46	gas	gas	NOUN
eurjchem-827	114	47	and	and	CCONJ
eurjchem-827	114	48	solution	solution	NOUN
eurjchem-827	114	49	phases	phase	NOUN
eurjchem-827	114	50	.	.	PUNCT
eurjchem-827	115	1	the	the	DET
eurjchem-827	115	2	optimized	optimize	VERB
eurjchem-827	115	3	bond	bond	NOUN
eurjchem-827	115	4	length	length	NOUN
eurjchem-827	115	5	and	and	CCONJ
eurjchem-827	115	6	angles	angle	NOUN
eurjchem-827	115	7	obtained	obtain	VERB
eurjchem-827	115	8	for	for	ADP
eurjchem-827	115	9	thione‐	thione‐	ADP
eurjchem-827	115	10	1	1	NUM
eurjchem-827	115	11	at	at	ADP
eurjchem-827	115	12	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	115	13	,	,	PUNCT
eurjchem-827	115	14	p	p	NOUN
eurjchem-827	115	15	)	)	PUNCT
eurjchem-827	115	16	level	level	NOUN
eurjchem-827	115	17	are	be	AUX
eurjchem-827	115	18	listed	list	VERB
eurjchem-827	115	19	in	in	ADP
eurjchem-827	115	20	table	table	NOUN
eurjchem-827	115	21	2	2	NUM
eurjchem-827	115	22	along	along	ADP
eurjchem-827	115	23	with	with	ADP
eurjchem-827	115	24	available	available	ADJ
eurjchem-827	115	25	experimental	experimental	ADJ
eurjchem-827	115	26	data	datum	NOUN
eurjchem-827	115	27	.	.	PUNCT
eurjchem-827	116	1	the	the	DET
eurjchem-827	116	2	thione‐1	thione‐1	PROPN
eurjchem-827	116	3	tautomeric	tautomeric	ADJ
eurjchem-827	116	4	form	form	NOUN
eurjchem-827	116	5	being	be	AUX
eurjchem-827	116	6	topologically	topologically	ADV
eurjchem-827	116	7	similar	similar	ADJ
eurjchem-827	116	8	to	to	ADP
eurjchem-827	116	9	the	the	DET
eurjchem-827	116	10	x‐ray	x‐ray	PROPN
eurjchem-827	116	11	crystal	crystal	NOUN
eurjchem-827	116	12	structure	structure	NOUN
eurjchem-827	116	13	reported	report	VERB
eurjchem-827	116	14	by	by	ADP
eurjchem-827	116	15	dincer	dincer	PROPN
eurjchem-827	116	16	et	et	PROPN
eurjchem-827	116	17	al	al	PROPN
eurjchem-827	116	18	.	.	PUNCT
eurjchem-827	117	1	[	[	X
eurjchem-827	117	2	9	9	NUM
eurjchem-827	117	3	]	]	PUNCT
eurjchem-827	117	4	.	.	PUNCT
eurjchem-827	118	1	overall	overall	ADV
eurjchem-827	118	2	,	,	PUNCT
eurjchem-827	118	3	the	the	DET
eurjchem-827	118	4	optimized	optimize	VERB
eurjchem-827	118	5	parameters	parameter	NOUN
eurjchem-827	118	6	obtained	obtain	VERB
eurjchem-827	118	7	by	by	ADP
eurjchem-827	118	8	the	the	DET
eurjchem-827	118	9	b3lyp	b3lyp	PROPN
eurjchem-827	118	10	method	method	NOUN
eurjchem-827	118	11	is	be	AUX
eurjchem-827	118	12	approximately	approximately	ADV
eurjchem-827	118	13	similar	similar	ADJ
eurjchem-827	118	14	than	than	ADP
eurjchem-827	118	15	those	those	PRON
eurjchem-827	118	16	observed	observe	VERB
eurjchem-827	118	17	experimentally	experimentally	ADV
eurjchem-827	118	18	.	.	PUNCT
eurjchem-827	119	1	the	the	DET
eurjchem-827	119	2	s	s	PROPN
eurjchem-827	119	3	=	=	ADJ
eurjchem-827	119	4	c8	c8	ADJ
eurjchem-827	119	5	bond	bond	NOUN
eurjchem-827	119	6	lengths	length	NOUN
eurjchem-827	119	7	of	of	ADP
eurjchem-827	119	8	1.677	1.677	NUM
eurjchem-827	119	9	å	å	NOUN
eurjchem-827	119	10	for	for	ADP
eurjchem-827	119	11	x‐ray	x‐ray	PROPN
eurjchem-827	119	12	and	and	CCONJ
eurjchem-827	119	13	1.667	1.667	NUM
eurjchem-827	119	14	å	å	NOUN
eurjchem-827	119	15	for	for	ADP
eurjchem-827	119	16	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	119	17	,	,	PUNCT
eurjchem-827	119	18	p	p	NOUN
eurjchem-827	119	19	)	)	PUNCT
eurjchem-827	119	20	are	be	AUX
eurjchem-827	119	21	indicative	indicative	ADJ
eurjchem-827	119	22	of	of	ADP
eurjchem-827	119	23	a	a	DET
eurjchem-827	119	24	significant	significant	ADJ
eurjchem-827	119	25	double‐bond	double‐bond	NOUN
eurjchem-827	119	26	character	character	NOUN
eurjchem-827	119	27	.	.	PUNCT
eurjchem-827	120	1	the	the	DET
eurjchem-827	120	2	title	title	NOUN
eurjchem-827	120	3	molecule	molecule	NOUN
eurjchem-827	120	4	consists	consist	VERB
eurjchem-827	120	5	of	of	ADP
eurjchem-827	120	6	2	2	NUM
eurjchem-827	120	7	aromatic	aromatic	ADJ
eurjchem-827	120	8	rings	ring	NOUN
eurjchem-827	120	9	,	,	PUNCT
eurjchem-827	120	10	the	the	DET
eurjchem-827	120	11	hydroxyphenyl	hydroxyphenyl	NOUN
eurjchem-827	120	12	ring	ring	NOUN
eurjchem-827	120	13	and	and	CCONJ
eurjchem-827	120	14	1,2,4‐triazole	1,2,4‐triazole	NUM
eurjchem-827	120	15	ring	ring	NOUN
eurjchem-827	120	16	.	.	PUNCT
eurjchem-827	121	1	the	the	DET
eurjchem-827	121	2	molecule	molecule	NOUN
eurjchem-827	121	3	is	be	AUX
eurjchem-827	121	4	almost	almost	ADV
eurjchem-827	121	5	coplanar	coplanar	ADJ
eurjchem-827	121	6	and	and	CCONJ
eurjchem-827	121	7	the	the	DET
eurjchem-827	121	8	dihedral	dihedral	ADJ
eurjchem-827	121	9	angle	angle	NOUN
eurjchem-827	121	10	between	between	ADP
eurjchem-827	121	11	the	the	DET
eurjchem-827	121	12	planes	plane	NOUN
eurjchem-827	121	13	is	be	AUX
eurjchem-827	121	14	10.9	10.9	NUM
eurjchem-827	121	15	°	°	NUM
eurjchem-827	121	16	and	and	CCONJ
eurjchem-827	121	17	0.003	0.003	NUM
eurjchem-827	121	18	°	°	NOUN
eurjchem-827	121	19	by	by	ADP
eurjchem-827	121	20	x‐ray	x‐ray	NOUN
eurjchem-827	121	21	and	and	CCONJ
eurjchem-827	121	22	b3lyp/6‐	b3lyp/6‐	NOUN
eurjchem-827	121	23	31g(d	31g(d	NUM
eurjchem-827	121	24	,	,	PUNCT
eurjchem-827	121	25	p	p	NOUN
eurjchem-827	121	26	)	)	PUNCT
eurjchem-827	121	27	,	,	PUNCT
eurjchem-827	121	28	respectively	respectively	ADV
eurjchem-827	121	29	.	.	PUNCT
eurjchem-827	122	1	as	as	SCONJ
eurjchem-827	122	2	can	can	AUX
eurjchem-827	122	3	be	be	AUX
eurjchem-827	122	4	seen	see	VERB
eurjchem-827	122	5	,	,	PUNCT
eurjchem-827	122	6	between	between	ADP
eurjchem-827	122	7	the	the	DET
eurjchem-827	122	8	calculated	calculate	VERB
eurjchem-827	122	9	and	and	CCONJ
eurjchem-827	122	10	observed	observe	VERB
eurjchem-827	122	11	dihedral	dihedral	ADJ
eurjchem-827	122	12	angle	angle	NOUN
eurjchem-827	122	13	parameter	parameter	NOUN
eurjchem-827	122	14	,	,	PUNCT
eurjchem-827	122	15	there	there	PRON
eurjchem-827	122	16	is	be	VERB
eurjchem-827	122	17	a	a	DET
eurjchem-827	122	18	difference	difference	NOUN
eurjchem-827	122	19	.	.	PUNCT
eurjchem-827	123	1	given	give	VERB
eurjchem-827	123	2	that	that	SCONJ
eurjchem-827	123	3	the	the	DET
eurjchem-827	123	4	experimental	experimental	ADJ
eurjchem-827	123	5	result	result	NOUN
eurjchem-827	123	6	was	be	AUX
eurjchem-827	123	7	obtained	obtain	VERB
eurjchem-827	123	8	from	from	ADP
eurjchem-827	123	9	molecule	molecule	NOUN
eurjchem-827	123	10	in	in	ADP
eurjchem-827	123	11	the	the	DET
eurjchem-827	123	12	solid	solid	ADJ
eurjchem-827	123	13	state	state	NOUN
eurjchem-827	123	14	while	while	SCONJ
eurjchem-827	123	15	the	the	DET
eurjchem-827	123	16	theoretical	theoretical	ADJ
eurjchem-827	123	17	result	result	NOUN
eurjchem-827	123	18	belongs	belong	VERB
eurjchem-827	123	19	to	to	ADP
eurjchem-827	123	20	isolated	isolated	ADJ
eurjchem-827	123	21	molecule	molecule	NOUN
eurjchem-827	123	22	in	in	ADP
eurjchem-827	123	23	gaseous	gaseous	ADJ
eurjchem-827	123	24	phase	phase	NOUN
eurjchem-827	123	25	,	,	PUNCT
eurjchem-827	123	26	this	this	DET
eurjchem-827	123	27	difference	difference	NOUN
eurjchem-827	123	28	is	be	AUX
eurjchem-827	123	29	not	not	PART
eurjchem-827	123	30	surprising	surprising	ADJ
eurjchem-827	123	31	.	.	PUNCT
eurjchem-827	124	1	in	in	ADP
eurjchem-827	124	2	thione‐1	thione‐1	NOUN
eurjchem-827	124	3	tautomeric	tautomeric	ADJ
eurjchem-827	124	4	form	form	NOUN
eurjchem-827	124	5	,	,	PUNCT
eurjchem-827	124	6	the	the	DET
eurjchem-827	124	7	co‐planarity	co‐planarity	NOUN
eurjchem-827	124	8	of	of	ADP
eurjchem-827	124	9	triazole	triazole	NOUN
eurjchem-827	124	10	ring	ring	NOUN
eurjchem-827	124	11	and	and	CCONJ
eurjchem-827	124	12	the	the	DET
eurjchem-827	124	13	benzene	benzene	NOUN
eurjchem-827	124	14	ring	ring	NOUN
eurjchem-827	124	15	facilitates	facilitate	VERB
eurjchem-827	124	16	the	the	DET
eurjchem-827	124	17	formation	formation	NOUN
eurjchem-827	124	18	of	of	ADP
eurjchem-827	124	19	three	three	NUM
eurjchem-827	124	20	intramolecular	intramolecular	ADJ
eurjchem-827	124	21	interactions	interaction	NOUN
eurjchem-827	124	22	,	,	PUNCT
eurjchem-827	124	23	o‐h∙∙∙∙n2	o‐h∙∙∙∙n2	NOUN
eurjchem-827	124	24	,	,	PUNCT
eurjchem-827	124	25	c‐h∙∙∙∙n4	c‐h∙∙∙∙n4	NOUN
eurjchem-827	124	26	and	and	CCONJ
eurjchem-827	124	27	bifurcated	bifurcated	ADJ
eurjchem-827	124	28	n4‐h∙∙∙∙s	n4‐h∙∙∙∙s	PROPN
eurjchem-827	124	29	h‐bonds	h‐bond	NOUN
eurjchem-827	124	30	.	.	PUNCT
eurjchem-827	125	1	the	the	DET
eurjchem-827	125	2	intramolecular	intramolecular	ADJ
eurjchem-827	125	3	o‐h∙∙∙∙n2	o‐h∙∙∙∙n2	NOUN
eurjchem-827	125	4	,	,	PUNCT
eurjchem-827	125	5	c‐h∙∙∙∙n4	c‐h∙∙∙∙n4	PROPN
eurjchem-827	125	6	and	and	CCONJ
eurjchem-827	125	7	n4‐h∙∙∙∙s	n4‐h∙∙∙∙s	PROPN
eurjchem-827	125	8	h‐bonds	h‐bond	NOUN
eurjchem-827	125	9	are	be	AUX
eurjchem-827	125	10	predicted	predict	VERB
eurjchem-827	125	11	as	as	ADP
eurjchem-827	125	12	1.893	1.893	NUM
eurjchem-827	125	13	,	,	PUNCT
eurjchem-827	125	14	2.352	2.352	NUM
eurjchem-827	125	15	and	and	CCONJ
eurjchem-827	125	16	2.734	2.734	NUM
eurjchem-827	125	17	å	å	X
eurjchem-827	125	18	by	by	ADP
eurjchem-827	125	19	x‐ray	x‐ray	PROPN
eurjchem-827	125	20	and	and	CCONJ
eurjchem-827	125	21	1.766	1.766	NUM
eurjchem-827	125	22	,	,	PUNCT
eurjchem-827	125	23	2.266	2.266	NUM
eurjchem-827	125	24	and	and	CCONJ
eurjchem-827	125	25	3.029	3.029	NUM
eurjchem-827	125	26	å	å	PROPN
eurjchem-827	125	27	by	by	ADP
eurjchem-827	125	28	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	125	29	,	,	PUNCT
eurjchem-827	125	30	p	p	NOUN
eurjchem-827	125	31	)	)	PUNCT
eurjchem-827	125	32	,	,	PUNCT
eurjchem-827	125	33	respectively	respectively	ADV
eurjchem-827	125	34	.	.	PUNCT
eurjchem-827	126	1	3.3	3.3	NUM
eurjchem-827	126	2	.	.	PUNCT
eurjchem-827	127	1	potentiometric	potentiometric	ADJ
eurjchem-827	127	2	studies	study	NOUN
eurjchem-827	127	3	on	on	ADP
eurjchem-827	127	4	the	the	DET
eurjchem-827	127	5	protonation	protonation	NOUN
eurjchem-827	127	6	constants	constant	NOUN
eurjchem-827	127	7	of	of	ADP
eurjchem-827	127	8	the	the	DET
eurjchem-827	127	9	ligand	ligand	NOUN
eurjchem-827	127	10	the	the	DET
eurjchem-827	127	11	titration	titration	NOUN
eurjchem-827	127	12	curve	curve	NOUN
eurjchem-827	127	13	of	of	ADP
eurjchem-827	127	14	the	the	DET
eurjchem-827	127	15	ligand	ligand	NOUN
eurjchem-827	127	16	presents	present	VERB
eurjchem-827	127	17	three	three	NUM
eurjchem-827	127	18	inflexion	inflexion	NOUN
eurjchem-827	127	19	points	point	NOUN
eurjchem-827	127	20	at	at	ADP
eurjchem-827	127	21	ph	ph	ADJ
eurjchem-827	127	22	values	value	NOUN
eurjchem-827	127	23	5.4‐8.0	5.4‐8.0	NUM
eurjchem-827	127	24	and	and	CCONJ
eurjchem-827	127	25	9.5	9.5	NUM
eurjchem-827	127	26	,	,	PUNCT
eurjchem-827	127	27	respectively	respectively	ADV
eurjchem-827	127	28	.	.	PUNCT
eurjchem-827	128	1	therefore	therefore	ADV
eurjchem-827	128	2	,	,	PUNCT
eurjchem-827	128	3	three	three	NUM
eurjchem-827	128	4	equilibriums	equilibrium	NOUN
eurjchem-827	128	5	corresponding	correspond	VERB
eurjchem-827	128	6	to	to	ADP
eurjchem-827	128	7	the	the	DET
eurjchem-827	128	8	protonation	protonation	NOUN
eurjchem-827	128	9	can	can	AUX
eurjchem-827	128	10	be	be	AUX
eurjchem-827	128	11	assumed	assume	VERB
eurjchem-827	128	12	in	in	ADP
eurjchem-827	128	13	these	these	DET
eurjchem-827	128	14	conditions	condition	NOUN
eurjchem-827	128	15	.	.	PUNCT
eurjchem-827	129	1	regardless	regardless	ADV
eurjchem-827	129	2	of	of	ADP
eurjchem-827	129	3	its	its	PRON
eurjchem-827	129	4	tautomeric	tautomeric	ADJ
eurjchem-827	129	5	form	form	NOUN
eurjchem-827	129	6	,	,	PUNCT
eurjchem-827	129	7	the	the	DET
eurjchem-827	129	8	ligand	ligand	NOUN
eurjchem-827	129	9	has	have	VERB
eurjchem-827	129	10	only	only	ADV
eurjchem-827	129	11	two	two	NUM
eurjchem-827	129	12	ionization	ionization	NOUN
eurjchem-827	129	13	hydrogen	hydrogen	NOUN
eurjchem-827	129	14	atoms	atom	NOUN
eurjchem-827	129	15	(	(	PUNCT
eurjchem-827	129	16	h2l	h2l	PROPN
eurjchem-827	129	17	)	)	PUNCT
eurjchem-827	129	18	,	,	PUNCT
eurjchem-827	129	19	but	but	CCONJ
eurjchem-827	129	20	it	it	PRON
eurjchem-827	129	21	has	have	VERB
eurjchem-827	129	22	several	several	ADJ
eurjchem-827	129	23	nitrogen	nitrogen	NOUN
eurjchem-827	129	24	atoms	atom	NOUN
eurjchem-827	129	25	potentially	potentially	ADV
eurjchem-827	129	26	protonables	protonable	VERB
eurjchem-827	129	27	.	.	PUNCT
eurjchem-827	130	1	the	the	DET
eurjchem-827	130	2	overall	overall	ADJ
eurjchem-827	130	3	constant	constant	ADJ
eurjchem-827	130	4	βqr	βqr	ADV
eurjchem-827	130	5	calculated	calculate	VERB
eurjchem-827	130	6	by	by	ADP
eurjchem-827	130	7	the	the	DET
eurjchem-827	130	8	sirko	sirko	PROPN
eurjchem-827	130	9	program	program	NOUN
eurjchem-827	130	10	are	be	AUX
eurjchem-827	130	11	defined	define	VERB
eurjchem-827	130	12	by	by	ADP
eurjchem-827	130	13	the	the	DET
eurjchem-827	130	14	equation	equation	NOUN
eurjchem-827	130	15	:	:	PUNCT
eurjchem-827	130	16	qh+	qh+	VERB
eurjchem-827	130	17	+	+	CCONJ
eurjchem-827	130	18	rl2‐	rl2‐	NOUN
eurjchem-827	130	19	→	→	PUNCT
eurjchem-827	130	20	[	[	PUNCT
eurjchem-827	130	21	hqlr]q‐2	hqlr]q‐2	NOUN
eurjchem-827	130	22	βqr	βqr	ADV
eurjchem-827	130	23	(	(	PUNCT
eurjchem-827	130	24	2	2	X
eurjchem-827	130	25	)	)	PUNCT
eurjchem-827	130	26	the	the	DET
eurjchem-827	130	27	species	species	NOUN
eurjchem-827	130	28	distribution	distribution	NOUN
eurjchem-827	130	29	diagrams	diagram	NOUN
eurjchem-827	130	30	as	as	ADP
eurjchem-827	130	31	function	function	NOUN
eurjchem-827	130	32	of	of	ADP
eurjchem-827	130	33	ph	ph	PROPN
eurjchem-827	130	34	(	(	PUNCT
eurjchem-827	130	35	figure	figure	NOUN
eurjchem-827	130	36	3	3	NUM
eurjchem-827	130	37	)	)	PUNCT
eurjchem-827	130	38	shows	show	VERB
eurjchem-827	130	39	that	that	SCONJ
eurjchem-827	130	40	the	the	DET
eurjchem-827	130	41	deprotonation	deprotonation	NOUN
eurjchem-827	130	42	of	of	ADP
eurjchem-827	130	43	h3l+	h3l+	PROPN
eurjchem-827	130	44	is	be	AUX
eurjchem-827	130	45	achieved	achieve	VERB
eurjchem-827	130	46	at	at	ADP
eurjchem-827	130	47	ph	ph	ADJ
eurjchem-827	130	48	5‐6	5‐6	PROPN
eurjchem-827	130	49	and	and	CCONJ
eurjchem-827	130	50	leads	lead	VERB
eurjchem-827	130	51	to	to	ADP
eurjchem-827	130	52	the	the	DET
eurjchem-827	130	53	successive	successive	ADJ
eurjchem-827	130	54	formation	formation	NOUN
eurjchem-827	130	55	of	of	ADP
eurjchem-827	130	56	h2l	h2l	PROPN
eurjchem-827	130	57	,	,	PUNCT
eurjchem-827	130	58	hl‐	hl‐	PROPN
eurjchem-827	130	59	and	and	CCONJ
eurjchem-827	130	60	l2‐	l2‐	NOUN
eurjchem-827	130	61	in	in	ADP
eurjchem-827	130	62	agreement	agreement	NOUN
eurjchem-827	130	63	with	with	ADP
eurjchem-827	130	64	the	the	DET
eurjchem-827	130	65	experimental	experimental	ADJ
eurjchem-827	130	66	titration	titration	NOUN
eurjchem-827	130	67	curve	curve	NOUN
eurjchem-827	130	68	.	.	PUNCT
eurjchem-827	131	1	the	the	DET
eurjchem-827	131	2	values	value	NOUN
eurjchem-827	131	3	of	of	ADP
eurjchem-827	131	4	overall	overall	ADJ
eurjchem-827	131	5	(	(	PUNCT
eurjchem-827	131	6	log	log	VERB
eurjchem-827	131	7	βqr	βqr	ADV
eurjchem-827	131	8	)	)	PUNCT
eurjchem-827	131	9	and	and	CCONJ
eurjchem-827	131	10	successive	successive	ADJ
eurjchem-827	131	11	(	(	PUNCT
eurjchem-827	131	12	log	log	NOUN
eurjchem-827	131	13	ki	ki	PROPN
eurjchem-827	131	14	)	)	PUNCT
eurjchem-827	131	15	protonation	protonation	NOUN
eurjchem-827	131	16	constants	constant	NOUN
eurjchem-827	131	17	of	of	ADP
eurjchem-827	131	18	the	the	DET
eurjchem-827	131	19	ligand	ligand	NOUN
eurjchem-827	131	20	are	be	AUX
eurjchem-827	131	21	listed	list	VERB
eurjchem-827	131	22	in	in	ADP
eurjchem-827	131	23	the	the	DET
eurjchem-827	131	24	table	table	NOUN
eurjchem-827	131	25	3	3	NUM
eurjchem-827	131	26	.	.	PUNCT
eurjchem-827	131	27	figure	figure	NOUN
eurjchem-827	131	28	3	3	NUM
eurjchem-827	131	29	.	.	PUNCT
eurjchem-827	132	1	species	specie	NOUN
eurjchem-827	132	2	distribution	distribution	NOUN
eurjchem-827	132	3	diagram	diagram	NOUN
eurjchem-827	132	4	of	of	ADP
eurjchem-827	132	5	the	the	DET
eurjchem-827	132	6	ligand	ligand	NOUN
eurjchem-827	132	7	.	.	PUNCT
eurjchem-827	133	1	the	the	DET
eurjchem-827	133	2	title	title	NOUN
eurjchem-827	133	3	compound	compound	NOUN
eurjchem-827	133	4	has	have	VERB
eurjchem-827	133	5	several	several	ADJ
eurjchem-827	133	6	potentially	potentially	ADV
eurjchem-827	133	7	protonatable	protonatable	ADJ
eurjchem-827	133	8	and	and	CCONJ
eurjchem-827	133	9	deprotonable	deprotonable	ADJ
eurjchem-827	133	10	sites	site	NOUN
eurjchem-827	133	11	,	,	PUNCT
eurjchem-827	133	12	then	then	ADV
eurjchem-827	133	13	measurement	measurement	NOUN
eurjchem-827	133	14	of	of	ADP
eurjchem-827	133	15	pka	pka	PROPN
eurjchem-827	133	16	value	value	NOUN
eurjchem-827	133	17	by	by	ADP
eurjchem-827	133	18	simple	simple	ADJ
eurjchem-827	133	19	titration	titration	NOUN
eurjchem-827	133	20	do	do	AUX
eurjchem-827	133	21	not	not	PART
eurjchem-827	133	22	provide	provide	VERB
eurjchem-827	133	23	information	information	NOUN
eurjchem-827	133	24	about	about	ADP
eurjchem-827	133	25	the	the	DET
eurjchem-827	133	26	site	site	NOUN
eurjchem-827	133	27	of	of	ADP
eurjchem-827	133	28	protonation	protonation	NOUN
eurjchem-827	133	29	or	or	CCONJ
eurjchem-827	133	30	deprotonation	deprotonation	NOUN
eurjchem-827	133	31	.	.	PUNCT
eurjchem-827	134	1	in	in	ADP
eurjchem-827	134	2	addition	addition	NOUN
eurjchem-827	134	3	the	the	DET
eurjchem-827	134	4	parent	parent	NOUN
eurjchem-827	134	5	compound	compound	NOUN
eurjchem-827	134	6	exists	exist	VERB
eurjchem-827	134	7	in	in	ADP
eurjchem-827	134	8	two	two	NUM
eurjchem-827	134	9	tautomeric	tautomeric	ADJ
eurjchem-827	134	10	forms	form	NOUN
eurjchem-827	134	11	making	make	VERB
eurjchem-827	134	12	the	the	DET
eurjchem-827	134	13	experimental	experimental	ADJ
eurjchem-827	134	14	determination	determination	NOUN
eurjchem-827	134	15	of	of	ADP
eurjchem-827	134	16	the	the	DET
eurjchem-827	134	17	actual	actual	ADJ
eurjchem-827	134	18	protonation	protonation	NOUN
eurjchem-827	134	19	state	state	NOUN
eurjchem-827	134	20	at	at	ADP
eurjchem-827	134	21	a	a	DET
eurjchem-827	134	22	given	give	VERB
eurjchem-827	134	23	ph	ph	NOUN
eurjchem-827	134	24	more	more	ADV
eurjchem-827	134	25	complicated	complicated	ADJ
eurjchem-827	134	26	.	.	PUNCT
eurjchem-827	135	1	the	the	DET
eurjchem-827	135	2	pka	pka	PROPN
eurjchem-827	135	3	values	value	NOUN
eurjchem-827	135	4	determined	determine	VERB
eurjchem-827	135	5	by	by	ADP
eurjchem-827	135	6	potentiometric	potentiometric	ADJ
eurjchem-827	135	7	ph	ph	ADJ
eurjchem-827	135	8	titrations	titration	NOUN
eurjchem-827	135	9	in	in	ADP
eurjchem-827	135	10	aqueous	aqueous	ADJ
eurjchem-827	135	11	solution	solution	NOUN
eurjchem-827	135	12	are	be	AUX
eurjchem-827	135	13	the	the	DET
eurjchem-827	135	14	following	following	NOUN
eurjchem-827	135	15	:	:	PUNCT
eurjchem-827	135	16	protonation	protonation	NOUN
eurjchem-827	135	17	of	of	ADP
eurjchem-827	135	18	the	the	DET
eurjchem-827	135	19	neutral	neutral	ADJ
eurjchem-827	135	20	ligand	ligand	NOUN
eurjchem-827	135	21	pka	pka	PROPN
eurjchem-827	135	22	=	=	PROPN
eurjchem-827	135	23	3.72	3.72	NUM
eurjchem-827	135	24	,	,	PUNCT
eurjchem-827	135	25	for	for	ADP
eurjchem-827	135	26	deprotonation	deprotonation	NOUN
eurjchem-827	135	27	two	two	NUM
eurjchem-827	135	28	values	value	NOUN
eurjchem-827	135	29	have	have	AUX
eurjchem-827	135	30	been	be	AUX
eurjchem-827	135	31	obtained	obtain	VERB
eurjchem-827	135	32	7.54	7.54	NUM
eurjchem-827	135	33	and	and	CCONJ
eurjchem-827	135	34	9.77	9.77	NUM
eurjchem-827	135	35	.	.	PUNCT
eurjchem-827	136	1	the	the	DET
eurjchem-827	136	2	third	third	ADJ
eurjchem-827	136	3	acidity	acidity	NOUN
eurjchem-827	136	4	constant	constant	ADJ
eurjchem-827	136	5	(	(	PUNCT
eurjchem-827	136	6	pka	pka	NOUN
eurjchem-827	136	7	=	=	NOUN
eurjchem-827	136	8	9.77	9.77	NUM
eurjchem-827	136	9	)	)	PUNCT
eurjchem-827	136	10	can	can	AUX
eurjchem-827	136	11	be	be	AUX
eurjchem-827	136	12	attributed	attribute	VERB
eurjchem-827	136	13	without	without	ADP
eurjchem-827	136	14	ambiguity	ambiguity	NOUN
eurjchem-827	136	15	to	to	ADP
eurjchem-827	136	16	the	the	DET
eurjchem-827	136	17	deprotonation	deprotonation	NOUN
eurjchem-827	136	18	of	of	ADP
eurjchem-827	136	19	the	the	DET
eurjchem-827	136	20	phenolic	phenolic	ADJ
eurjchem-827	136	21	group	group	NOUN
eurjchem-827	136	22	.	.	PUNCT
eurjchem-827	137	1	lechani	lechani	PROPN
eurjchem-827	137	2	et	et	PROPN
eurjchem-827	137	3	al	al	PROPN
eurjchem-827	137	4	.	.	PUNCT
eurjchem-827	137	5	/	/	SYM
eurjchem-827	137	6	european	european	PROPN
eurjchem-827	137	7	journal	journal	PROPN
eurjchem-827	137	8	of	of	ADP
eurjchem-827	137	9	chemistry	chemistry	NOUN
eurjchem-827	137	10	4	4	NUM
eurjchem-827	137	11	(	(	PUNCT
eurjchem-827	137	12	3	3	NUM
eurjchem-827	137	13	)	)	PUNCT
eurjchem-827	137	14	(	(	PUNCT
eurjchem-827	137	15	2013	2013	NUM
eurjchem-827	137	16	)	)	PUNCT
eurjchem-827	137	17	285‐291	285‐291	NUM
eurjchem-827	137	18	289	289	NUM
eurjchem-827	137	19	table	table	NOUN
eurjchem-827	137	20	3	3	NUM
eurjchem-827	137	21	.	.	PUNCT
eurjchem-827	137	22	protonation	protonation	NOUN
eurjchem-827	137	23	constants	constant	NOUN
eurjchem-827	137	24	of	of	ADP
eurjchem-827	137	25	the	the	DET
eurjchem-827	137	26	ligand	ligand	NOUN
eurjchem-827	137	27	(	(	PUNCT
eurjchem-827	137	28	log	log	VERB
eurjchem-827	137	29	ki	ki	PROPN
eurjchem-827	137	30	)	)	PUNCT
eurjchem-827	137	31	*	*	PUNCT
eurjchem-827	137	32	.	.	PUNCT
eurjchem-827	138	1	q	q	PUNCT
eurjchem-827	138	2	r	r	NOUN
eurjchem-827	138	3	log	log	NOUN
eurjchem-827	138	4	ßqr	ßqr	NOUN
eurjchem-827	138	5	equilibrium	equilibrium	NOUN
eurjchem-827	138	6	log	log	NOUN
eurjchem-827	138	7	ki	ki	PROPN
eurjchem-827	139	1	1	1	NUM
eurjchem-827	139	2	1	1	NUM
eurjchem-827	139	3	3.72±0.03	3.72±0.03	NUM
eurjchem-827	139	4	h2l	h2l	X
eurjchem-827	139	5	/h3l+	/h3l+	NOUN
eurjchem-827	139	6	3.72	3.72	NUM
eurjchem-827	139	7	2	2	NUM
eurjchem-827	139	8	1	1	NUM
eurjchem-827	139	9	11.26±0.05	11.26±0.05	NUM
eurjchem-827	139	10	hl‐/h2l	hl‐/h2l	VERB
eurjchem-827	139	11	7.54	7.54	NUM
eurjchem-827	139	12	3	3	NUM
eurjchem-827	139	13	1	1	NUM
eurjchem-827	139	14	21.03±0.07	21.03±0.07	NUM
eurjchem-827	139	15	l2‐/hl‐	l2‐/hl‐	NOUN
eurjchem-827	139	16	9.77	9.77	NUM
eurjchem-827	139	17	*	*	PUNCT
eurjchem-827	139	18	q	q	NOUN
eurjchem-827	139	19	=	=	NOUN
eurjchem-827	139	20	number	number	NOUN
eurjchem-827	139	21	of	of	ADP
eurjchem-827	139	22	protons	proton	NOUN
eurjchem-827	139	23	;	;	PUNCT
eurjchem-827	139	24	r	r	NOUN
eurjchem-827	139	25	=	=	SYM
eurjchem-827	139	26	number	number	NOUN
eurjchem-827	139	27	of	of	ADP
eurjchem-827	139	28	ligands	ligand	NOUN
eurjchem-827	139	29	.	.	PUNCT
eurjchem-827	140	1	table	table	NOUN
eurjchem-827	140	2	4	4	NUM
eurjchem-827	140	3	.	.	PUNCT
eurjchem-827	141	1	stability	stability	NOUN
eurjchem-827	141	2	constants	constant	NOUN
eurjchem-827	141	3	of	of	ADP
eurjchem-827	141	4	the	the	DET
eurjchem-827	141	5	complexes	complex	NOUN
eurjchem-827	141	6	*	*	PUNCT
eurjchem-827	141	7	.	.	PUNCT
eurjchem-827	142	1	mp	mp	PROPN
eurjchem-827	142	2	hq	hq	PROPN
eurjchem-827	142	3	lr	lr	PROPN
eurjchem-827	142	4	mn2	mn2	VERB
eurjchem-827	142	5	+	+	CCONJ
eurjchem-827	142	6	co2	co2	NOUN
eurjchem-827	142	7	+	+	CCONJ
eurjchem-827	142	8	ni2	ni2	NOUN
eurjchem-827	142	9	+	+	NOUN
eurjchem-827	142	10	cu2	cu2	NOUN
eurjchem-827	142	11	+	+	X
eurjchem-827	142	12	1	1	NUM
eurjchem-827	142	13	0	0	NUM
eurjchem-827	142	14	1	1	NUM
eurjchem-827	142	15	6.19	6.19	NUM
eurjchem-827	142	16	±	±	NUM
eurjchem-827	142	17	0.11	0.11	NUM
eurjchem-827	142	18	6.78	6.78	NUM
eurjchem-827	142	19	±	±	NUM
eurjchem-827	142	20	0.08	0.08	NUM
eurjchem-827	142	21	6.33	6.33	NUM
eurjchem-827	142	22	±	±	NUM
eurjchem-827	142	23	0.10	0.10	NUM
eurjchem-827	142	24	13.67	13.67	NUM
eurjchem-827	142	25	±	±	NOUN
eurjchem-827	142	26	0.16	0.16	NUM
eurjchem-827	142	27	1	1	NUM
eurjchem-827	142	28	1	1	NUM
eurjchem-827	142	29	1	1	NUM
eurjchem-827	142	30	9.38	9.38	NUM
eurjchem-827	142	31	±	±	NUM
eurjchem-827	142	32	0.27	0.27	NUM
eurjchem-827	142	33	10.40	10.40	NUM
eurjchem-827	142	34	±	±	NUM
eurjchem-827	142	35	0.17	0.17	NUM
eurjchem-827	142	36	10.73	10.73	NUM
eurjchem-827	142	37	±	±	NUM
eurjchem-827	142	38	0.17	0.17	NUM
eurjchem-827	142	39	17.80	17.80	NUM
eurjchem-827	142	40	±	±	NUM
eurjchem-827	142	41	0.19	0.19	NUM
eurjchem-827	142	42	*	*	PUNCT
eurjchem-827	142	43	p=	p=	ADJ
eurjchem-827	142	44	number	number	NOUN
eurjchem-827	142	45	of	of	ADP
eurjchem-827	142	46	metals	metal	NOUN
eurjchem-827	142	47	;	;	PUNCT
eurjchem-827	142	48	q	q	NOUN
eurjchem-827	142	49	=	=	NOUN
eurjchem-827	142	50	number	number	NOUN
eurjchem-827	142	51	of	of	ADP
eurjchem-827	142	52	protons	proton	NOUN
eurjchem-827	142	53	;	;	PUNCT
eurjchem-827	142	54	r	r	NOUN
eurjchem-827	142	55	=	=	SYM
eurjchem-827	142	56	number	number	NOUN
eurjchem-827	142	57	of	of	ADP
eurjchem-827	142	58	ligands	ligand	NOUN
eurjchem-827	142	59	.	.	PUNCT
eurjchem-827	143	1	figure	figure	NOUN
eurjchem-827	143	2	4	4	NUM
eurjchem-827	143	3	.	.	PUNCT
eurjchem-827	143	4	theoretical	theoretical	ADJ
eurjchem-827	143	5	results	result	NOUN
eurjchem-827	143	6	of	of	ADP
eurjchem-827	143	7	pka	pka	PROPN
eurjchem-827	143	8	values	value	NOUN
eurjchem-827	143	9	obtained	obtain	VERB
eurjchem-827	143	10	for	for	ADP
eurjchem-827	143	11	both	both	DET
eurjchem-827	143	12	tautomers	tautomer	NOUN
eurjchem-827	143	13	.	.	PUNCT
eurjchem-827	144	1	the	the	DET
eurjchem-827	144	2	second	second	ADJ
eurjchem-827	144	3	(	(	PUNCT
eurjchem-827	144	4	7.54	7.54	NUM
eurjchem-827	144	5	)	)	PUNCT
eurjchem-827	144	6	can	can	AUX
eurjchem-827	144	7	be	be	AUX
eurjchem-827	144	8	attributed	attribute	VERB
eurjchem-827	144	9	to	to	ADP
eurjchem-827	144	10	the	the	DET
eurjchem-827	144	11	deprotonation	deprotonation	NOUN
eurjchem-827	144	12	of	of	ADP
eurjchem-827	144	13	the	the	DET
eurjchem-827	144	14	thiol	thiol	ADJ
eurjchem-827	144	15	group	group	NOUN
eurjchem-827	144	16	or	or	CCONJ
eurjchem-827	144	17	the	the	DET
eurjchem-827	144	18	nh	nh	PROPN
eurjchem-827	144	19	group	group	NOUN
eurjchem-827	144	20	of	of	ADP
eurjchem-827	144	21	the	the	DET
eurjchem-827	144	22	triazole	triazole	NOUN
eurjchem-827	144	23	ring	ring	NOUN
eurjchem-827	144	24	depending	depend	VERB
eurjchem-827	144	25	of	of	ADP
eurjchem-827	144	26	the	the	DET
eurjchem-827	144	27	tautomeric	tautomeric	ADJ
eurjchem-827	144	28	form	form	NOUN
eurjchem-827	144	29	.	.	PUNCT
eurjchem-827	145	1	however	however	ADV
eurjchem-827	145	2	it	it	PRON
eurjchem-827	145	3	is	be	AUX
eurjchem-827	145	4	difficult	difficult	ADJ
eurjchem-827	145	5	to	to	PART
eurjchem-827	145	6	assign	assign	VERB
eurjchem-827	145	7	a	a	DET
eurjchem-827	145	8	protonation	protonation	NOUN
eurjchem-827	145	9	site	site	NOUN
eurjchem-827	145	10	for	for	ADP
eurjchem-827	145	11	the	the	DET
eurjchem-827	145	12	first	first	ADJ
eurjchem-827	145	13	value	value	NOUN
eurjchem-827	145	14	(	(	PUNCT
eurjchem-827	145	15	3.72	3.72	NUM
eurjchem-827	145	16	)	)	PUNCT
eurjchem-827	145	17	.	.	PUNCT
eurjchem-827	146	1	in	in	ADP
eurjchem-827	146	2	order	order	NOUN
eurjchem-827	146	3	to	to	PART
eurjchem-827	146	4	confirm	confirm	VERB
eurjchem-827	146	5	the	the	DET
eurjchem-827	146	6	assignment	assignment	NOUN
eurjchem-827	146	7	made	make	VERB
eurjchem-827	146	8	for	for	ADP
eurjchem-827	146	9	the	the	DET
eurjchem-827	146	10	experimental	experimental	ADJ
eurjchem-827	146	11	acidity	acidity	NOUN
eurjchem-827	146	12	constants	constant	NOUN
eurjchem-827	146	13	of	of	ADP
eurjchem-827	146	14	the	the	DET
eurjchem-827	146	15	parent	parent	NOUN
eurjchem-827	146	16	compound	compound	NOUN
eurjchem-827	146	17	in	in	ADP
eurjchem-827	146	18	water	water	NOUN
eurjchem-827	146	19	solution	solution	NOUN
eurjchem-827	146	20	,	,	PUNCT
eurjchem-827	146	21	the	the	DET
eurjchem-827	146	22	calculations	calculation	NOUN
eurjchem-827	146	23	of	of	ADP
eurjchem-827	146	24	the	the	DET
eurjchem-827	146	25	pka	pka	PROPN
eurjchem-827	146	26	values	value	NOUN
eurjchem-827	146	27	were	be	AUX
eurjchem-827	146	28	carried	carry	VERB
eurjchem-827	146	29	out	out	ADP
eurjchem-827	146	30	.	.	PUNCT
eurjchem-827	147	1	3.4	3.4	NUM
eurjchem-827	147	2	.	.	PUNCT
eurjchem-827	147	3	theoretical	theoretical	ADJ
eurjchem-827	147	4	prediction	prediction	NOUN
eurjchem-827	147	5	of	of	ADP
eurjchem-827	147	6	absolute	absolute	ADJ
eurjchem-827	147	7	pka	pka	PROPN
eurjchem-827	147	8	values	value	NOUN
eurjchem-827	147	9	of	of	ADP
eurjchem-827	147	10	the	the	DET
eurjchem-827	147	11	ligand	ligand	NOUN
eurjchem-827	147	12	according	accord	VERB
eurjchem-827	147	13	to	to	ADP
eurjchem-827	147	14	our	our	PRON
eurjchem-827	147	15	dft	dft	PROPN
eurjchem-827	147	16	calculation	calculation	NOUN
eurjchem-827	147	17	(	(	PUNCT
eurjchem-827	147	18	see	see	VERB
eurjchem-827	147	19	table	table	NOUN
eurjchem-827	147	20	1	1	NUM
eurjchem-827	147	21	)	)	PUNCT
eurjchem-827	147	22	the	the	DET
eurjchem-827	147	23	thiol‐1	thiol‐1	NOUN
eurjchem-827	147	24	and	and	CCONJ
eurjchem-827	147	25	thione‐2	thione‐2	PRON
eurjchem-827	147	26	conformers	conformer	NOUN
eurjchem-827	147	27	of	of	ADP
eurjchem-827	147	28	thiol‐thione	thiol‐thione	NOUN
eurjchem-827	147	29	tautomers	tautomer	NOUN
eurjchem-827	147	30	of	of	ADP
eurjchem-827	147	31	the	the	DET
eurjchem-827	147	32	ligand	ligand	NOUN
eurjchem-827	147	33	are	be	AUX
eurjchem-827	147	34	the	the	DET
eurjchem-827	147	35	most	most	ADV
eurjchem-827	147	36	stable	stable	ADJ
eurjchem-827	147	37	species	specie	NOUN
eurjchem-827	147	38	in	in	ADP
eurjchem-827	147	39	solution	solution	NOUN
eurjchem-827	147	40	.	.	PUNCT
eurjchem-827	148	1	an	an	DET
eurjchem-827	148	2	overview	overview	NOUN
eurjchem-827	148	3	of	of	ADP
eurjchem-827	148	4	the	the	DET
eurjchem-827	148	5	theoretical	theoretical	ADJ
eurjchem-827	148	6	results	result	NOUN
eurjchem-827	148	7	of	of	ADP
eurjchem-827	148	8	pka	pka	PROPN
eurjchem-827	148	9	values	value	NOUN
eurjchem-827	148	10	obtained	obtain	VERB
eurjchem-827	148	11	for	for	ADP
eurjchem-827	148	12	both	both	DET
eurjchem-827	148	13	tautomers	tautomer	NOUN
eurjchem-827	148	14	(	(	PUNCT
eurjchem-827	148	15	thiol‐1	thiol‐1	NOUN
eurjchem-827	148	16	and	and	CCONJ
eurjchem-827	148	17	thione‐2	thione‐2	ADP
eurjchem-827	148	18	)	)	PUNCT
eurjchem-827	148	19	using	use	VERB
eurjchem-827	148	20	procedure	procedure	NOUN
eurjchem-827	148	21	described	describe	VERB
eurjchem-827	148	22	above	above	ADV
eurjchem-827	148	23	is	be	AUX
eurjchem-827	148	24	given	give	VERB
eurjchem-827	148	25	in	in	ADP
eurjchem-827	148	26	figure	figure	NOUN
eurjchem-827	148	27	4	4	NUM
eurjchem-827	148	28	.	.	PUNCT
eurjchem-827	149	1	the	the	DET
eurjchem-827	149	2	sites	site	NOUN
eurjchem-827	149	3	of	of	ADP
eurjchem-827	149	4	protonation	protonation	NOUN
eurjchem-827	149	5	or	or	CCONJ
eurjchem-827	149	6	deprotonation	deprotonation	NOUN
eurjchem-827	149	7	reported	report	VERB
eurjchem-827	149	8	in	in	ADP
eurjchem-827	149	9	figure	figure	NOUN
eurjchem-827	149	10	4	4	NUM
eurjchem-827	149	11	are	be	AUX
eurjchem-827	149	12	in	in	ADP
eurjchem-827	149	13	the	the	DET
eurjchem-827	149	14	focus	focus	NOUN
eurjchem-827	149	15	of	of	ADP
eurjchem-827	149	16	the	the	DET
eurjchem-827	149	17	present	present	ADJ
eurjchem-827	149	18	study	study	NOUN
eurjchem-827	149	19	because	because	SCONJ
eurjchem-827	149	20	they	they	PRON
eurjchem-827	149	21	are	be	AUX
eurjchem-827	149	22	of	of	ADP
eurjchem-827	149	23	relevance	relevance	NOUN
eurjchem-827	149	24	for	for	ADP
eurjchem-827	149	25	metal‐ion	metal‐ion	NOUN
eurjchem-827	149	26	binding	bind	VERB
eurjchem-827	149	27	.	.	PUNCT
eurjchem-827	150	1	as	as	SCONJ
eurjchem-827	150	2	can	can	AUX
eurjchem-827	150	3	be	be	AUX
eurjchem-827	150	4	seen	see	VERB
eurjchem-827	150	5	on	on	ADP
eurjchem-827	150	6	figure	figure	NOUN
eurjchem-827	150	7	4	4	NUM
eurjchem-827	150	8	,	,	PUNCT
eurjchem-827	150	9	the	the	DET
eurjchem-827	150	10	calculated	calculated	ADJ
eurjchem-827	150	11	pka	pka	PROPN
eurjchem-827	150	12	value	value	NOUN
eurjchem-827	150	13	obtained	obtain	VERB
eurjchem-827	150	14	for	for	ADP
eurjchem-827	150	15	the	the	DET
eurjchem-827	150	16	phenolic	phenolic	ADJ
eurjchem-827	150	17	group	group	NOUN
eurjchem-827	150	18	of	of	ADP
eurjchem-827	150	19	thione‐1	thione‐1	PROPN
eurjchem-827	150	20	tautomeric	tautomeric	ADJ
eurjchem-827	150	21	form	form	NOUN
eurjchem-827	150	22	has	have	VERB
eurjchem-827	150	23	the	the	DET
eurjchem-827	150	24	small	small	ADJ
eurjchem-827	150	25	deviation	deviation	NOUN
eurjchem-827	150	26	compared	compare	VERB
eurjchem-827	150	27	to	to	ADP
eurjchem-827	150	28	the	the	DET
eurjchem-827	150	29	experimental	experimental	ADJ
eurjchem-827	150	30	value	value	NOUN
eurjchem-827	150	31	(	(	PUNCT
eurjchem-827	150	32	pka	pka	NOUN
eurjchem-827	150	33	=	=	SYM
eurjchem-827	150	34	9.77	9.77	NUM
eurjchem-827	150	35	assigned	assign	VERB
eurjchem-827	150	36	to	to	ADP
eurjchem-827	150	37	the	the	DET
eurjchem-827	150	38	phenol	phenol	NOUN
eurjchem-827	150	39	group	group	NOUN
eurjchem-827	150	40	)	)	PUNCT
eurjchem-827	150	41	.	.	PUNCT
eurjchem-827	151	1	the	the	DET
eurjchem-827	151	2	confusion	confusion	NOUN
eurjchem-827	151	3	about	about	ADP
eurjchem-827	151	4	the	the	DET
eurjchem-827	151	5	acidity	acidity	NOUN
eurjchem-827	151	6	constant	constant	ADJ
eurjchem-827	151	7	pka	pka	PROPN
eurjchem-827	151	8	=	=	SYM
eurjchem-827	151	9	7.54	7.54	NUM
eurjchem-827	151	10	is	be	AUX
eurjchem-827	151	11	not	not	PART
eurjchem-827	151	12	definitely	definitely	ADV
eurjchem-827	151	13	resolved	resolve	VERB
eurjchem-827	151	14	,	,	PUNCT
eurjchem-827	151	15	indeed	indeed	ADV
eurjchem-827	151	16	the	the	DET
eurjchem-827	151	17	values	value	NOUN
eurjchem-827	151	18	obtained	obtain	VERB
eurjchem-827	151	19	for	for	ADP
eurjchem-827	151	20	thiol	thiol	NOUN
eurjchem-827	151	21	(	(	PUNCT
eurjchem-827	151	22	pka	pka	NOUN
eurjchem-827	151	23	=	=	PROPN
eurjchem-827	151	24	5.93	5.93	NUM
eurjchem-827	151	25	of	of	ADP
eurjchem-827	151	26	sh	sh	PROPN
eurjchem-827	151	27	)	)	PUNCT
eurjchem-827	151	28	and	and	CCONJ
eurjchem-827	151	29	thione	thione	NOUN
eurjchem-827	151	30	(	(	PUNCT
eurjchem-827	151	31	pka	pka	NOUN
eurjchem-827	151	32	=	=	PROPN
eurjchem-827	151	33	7.87	7.87	NUM
eurjchem-827	151	34	of	of	ADP
eurjchem-827	151	35	nh	nh	NOUN
eurjchem-827	151	36	)	)	PUNCT
eurjchem-827	151	37	forms	form	NOUN
eurjchem-827	151	38	are	be	AUX
eurjchem-827	151	39	close	close	ADJ
eurjchem-827	151	40	to	to	ADP
eurjchem-827	151	41	the	the	DET
eurjchem-827	151	42	experimental	experimental	ADJ
eurjchem-827	151	43	value	value	NOUN
eurjchem-827	151	44	(	(	PUNCT
eurjchem-827	151	45	within	within	ADP
eurjchem-827	151	46	0.33	0.33	NUM
eurjchem-827	151	47	to	to	ADP
eurjchem-827	151	48	1.61	1.61	NUM
eurjchem-827	151	49	)	)	PUNCT
eurjchem-827	151	50	.	.	PUNCT
eurjchem-827	152	1	however	however	ADV
eurjchem-827	152	2	,	,	PUNCT
eurjchem-827	152	3	based	base	VERB
eurjchem-827	152	4	on	on	ADP
eurjchem-827	152	5	thermodynamic	thermodynamic	ADJ
eurjchem-827	152	6	stability	stability	NOUN
eurjchem-827	152	7	,	,	PUNCT
eurjchem-827	152	8	one	one	PRON
eurjchem-827	152	9	can	can	AUX
eurjchem-827	152	10	conclude	conclude	VERB
eurjchem-827	152	11	that	that	SCONJ
eurjchem-827	152	12	the	the	DET
eurjchem-827	152	13	pka	pka	PROPN
eurjchem-827	152	14	=	=	SYM
eurjchem-827	152	15	7.33	7.33	NUM
eurjchem-827	152	16	value	value	NOUN
eurjchem-827	152	17	should	should	AUX
eurjchem-827	152	18	correspond	correspond	VERB
eurjchem-827	152	19	to	to	ADP
eurjchem-827	152	20	the	the	DET
eurjchem-827	152	21	deprotonation	deprotonation	NOUN
eurjchem-827	152	22	of	of	ADP
eurjchem-827	152	23	the	the	DET
eurjchem-827	152	24	nitrogen	nitrogen	NOUN
eurjchem-827	152	25	atom	atom	NOUN
eurjchem-827	152	26	n3	n3	NOUN
eurjchem-827	152	27	of	of	ADP
eurjchem-827	152	28	the	the	DET
eurjchem-827	152	29	triazol	triazol	ADJ
eurjchem-827	152	30	ring	ring	NOUN
eurjchem-827	152	31	.	.	PUNCT
eurjchem-827	153	1	in	in	ADP
eurjchem-827	153	2	the	the	DET
eurjchem-827	153	3	case	case	NOUN
eurjchem-827	153	4	of	of	ADP
eurjchem-827	153	5	amino	amino	NOUN
eurjchem-827	153	6	group	group	NOUN
eurjchem-827	153	7	present	present	ADJ
eurjchem-827	153	8	in	in	ADP
eurjchem-827	153	9	both	both	PRON
eurjchem-827	153	10	tautomeric	tautomeric	ADJ
eurjchem-827	153	11	forms	form	NOUN
eurjchem-827	153	12	our	our	PRON
eurjchem-827	153	13	calculations	calculation	NOUN
eurjchem-827	153	14	give	give	VERB
eurjchem-827	153	15	large	large	ADJ
eurjchem-827	153	16	negative	negative	ADJ
eurjchem-827	153	17	values	value	NOUN
eurjchem-827	153	18	of	of	ADP
eurjchem-827	153	19	pka	pka	PROPN
eurjchem-827	153	20	.	.	PUNCT
eurjchem-827	154	1	this	this	PRON
eurjchem-827	154	2	suggests	suggest	VERB
eurjchem-827	154	3	that	that	SCONJ
eurjchem-827	154	4	the	the	DET
eurjchem-827	154	5	basicity	basicity	NOUN
eurjchem-827	154	6	of	of	ADP
eurjchem-827	154	7	the	the	DET
eurjchem-827	154	8	nh2	nh2	PROPN
eurjchem-827	154	9	group	group	NOUN
eurjchem-827	154	10	is	be	AUX
eurjchem-827	154	11	too	too	ADV
eurjchem-827	154	12	weak	weak	ADJ
eurjchem-827	154	13	to	to	PART
eurjchem-827	154	14	be	be	AUX
eurjchem-827	154	15	detected	detect	VERB
eurjchem-827	154	16	.	.	PUNCT
eurjchem-827	155	1	our	our	PRON
eurjchem-827	155	2	calculation	calculation	NOUN
eurjchem-827	155	3	is	be	AUX
eurjchem-827	155	4	in	in	ADP
eurjchem-827	155	5	very	very	ADV
eurjchem-827	155	6	close	close	ADJ
eurjchem-827	155	7	agreement	agreement	NOUN
eurjchem-827	155	8	with	with	ADP
eurjchem-827	155	9	the	the	DET
eurjchem-827	155	10	experimental	experimental	ADJ
eurjchem-827	155	11	observation	observation	NOUN
eurjchem-827	155	12	obtained	obtain	VERB
eurjchem-827	155	13	for	for	ADP
eurjchem-827	155	14	4‐amino‐3‐methyl‐	4‐amino‐3‐methyl‐	PROPN
eurjchem-827	155	15	1,2,4‐triazoline‐5‐thione	1,2,4‐triazoline‐5‐thione	PROPN
eurjchem-827	155	16	that	that	PRON
eurjchem-827	155	17	excludes	exclude	VERB
eurjchem-827	155	18	any	any	DET
eurjchem-827	155	19	protonation	protonation	NOUN
eurjchem-827	155	20	on	on	ADP
eurjchem-827	155	21	the	the	DET
eurjchem-827	155	22	amine	amine	ADJ
eurjchem-827	155	23	nitrogen	nitrogen	NOUN
eurjchem-827	155	24	atom	atom	NOUN
eurjchem-827	155	25	even	even	ADV
eurjchem-827	155	26	with	with	ADP
eurjchem-827	155	27	excess	excess	NOUN
eurjchem-827	155	28	of	of	ADP
eurjchem-827	155	29	hydrochloric	hydrochloric	ADJ
eurjchem-827	155	30	acid	acid	NOUN
eurjchem-827	155	31	,	,	PUNCT
eurjchem-827	155	32	indicating	indicate	VERB
eurjchem-827	155	33	that	that	SCONJ
eurjchem-827	155	34	the	the	DET
eurjchem-827	155	35	amino	amino	NOUN
eurjchem-827	155	36	group	group	NOUN
eurjchem-827	155	37	it	it	PRON
eurjchem-827	155	38	is	be	AUX
eurjchem-827	155	39	a	a	DET
eurjchem-827	155	40	very	very	ADV
eurjchem-827	155	41	weak	weak	ADJ
eurjchem-827	155	42	base	base	NOUN
eurjchem-827	155	43	[	[	X
eurjchem-827	155	44	22	22	NUM
eurjchem-827	155	45	]	]	PUNCT
eurjchem-827	155	46	.	.	PUNCT
eurjchem-827	156	1	the	the	DET
eurjchem-827	156	2	smaller	small	ADJ
eurjchem-827	156	3	experimental	experimental	ADJ
eurjchem-827	156	4	value	value	NOUN
eurjchem-827	156	5	of	of	ADP
eurjchem-827	156	6	pka	pka	PROPN
eurjchem-827	156	7	=	=	PUNCT
eurjchem-827	156	8	3.72	3.72	NUM
eurjchem-827	156	9	is	be	AUX
eurjchem-827	156	10	very	very	ADV
eurjchem-827	156	11	different	different	ADJ
eurjchem-827	156	12	from	from	ADP
eurjchem-827	156	13	the	the	DET
eurjchem-827	156	14	calculated	calculate	VERB
eurjchem-827	156	15	value	value	NOUN
eurjchem-827	156	16	pka	pka	NOUN
eurjchem-827	156	17	=	=	SYM
eurjchem-827	156	18	‐10.20	‐10.20	NUM
eurjchem-827	156	19	obtained	obtain	VERB
eurjchem-827	156	20	for	for	ADP
eurjchem-827	156	21	the	the	DET
eurjchem-827	156	22	n2	n2	ADJ
eurjchem-827	156	23	site	site	NOUN
eurjchem-827	156	24	of	of	ADP
eurjchem-827	156	25	thione	thione	PROPN
eurjchem-827	156	26	tautomer	tautomer	NOUN
eurjchem-827	156	27	.	.	PUNCT
eurjchem-827	157	1	however	however	ADV
eurjchem-827	157	2	,	,	PUNCT
eurjchem-827	157	3	the	the	DET
eurjchem-827	157	4	pka	pka	PROPN
eurjchem-827	157	5	value	value	NOUN
eurjchem-827	157	6	calculated	calculate	VERB
eurjchem-827	157	7	for	for	ADP
eurjchem-827	157	8	the	the	DET
eurjchem-827	157	9	n2	n2	ADJ
eurjchem-827	157	10	site	site	NOUN
eurjchem-827	157	11	(	(	PUNCT
eurjchem-827	157	12	pka	pka	PROPN
eurjchem-827	157	13	=	=	PUNCT
eurjchem-827	157	14	‐2.60	‐2.60	PROPN
eurjchem-827	157	15	)	)	PUNCT
eurjchem-827	157	16	of	of	ADP
eurjchem-827	157	17	thiol	thiol	ADJ
eurjchem-827	157	18	form	form	NOUN
eurjchem-827	157	19	is	be	AUX
eurjchem-827	157	20	only	only	ADV
eurjchem-827	157	21	slightly	slightly	ADV
eurjchem-827	157	22	erroneous	erroneous	ADJ
eurjchem-827	157	23	.	.	PUNCT
eurjchem-827	158	1	then	then	ADV
eurjchem-827	158	2	it	it	PRON
eurjchem-827	158	3	is	be	AUX
eurjchem-827	158	4	possible	possible	ADJ
eurjchem-827	158	5	to	to	PART
eurjchem-827	158	6	assign	assign	VERB
eurjchem-827	158	7	the	the	DET
eurjchem-827	158	8	smaller	small	ADJ
eurjchem-827	158	9	experimental	experimental	ADJ
eurjchem-827	158	10	value	value	NOUN
eurjchem-827	158	11	of	of	ADP
eurjchem-827	158	12	pka	pka	NOUN
eurjchem-827	158	13	=	=	NOUN
eurjchem-827	158	14	3.72	3.72	NUM
eurjchem-827	158	15	to	to	ADP
eurjchem-827	158	16	the	the	DET
eurjchem-827	158	17	n3	n3	NOUN
eurjchem-827	158	18	site	site	NOUN
eurjchem-827	158	19	(	(	PUNCT
eurjchem-827	158	20	pka	pka	PROPN
eurjchem-827	158	21	=	=	PUNCT
eurjchem-827	158	22	‐2.60	‐2.60	PROPN
eurjchem-827	158	23	)	)	PUNCT
eurjchem-827	158	24	of	of	ADP
eurjchem-827	158	25	thiol	thiol	ADJ
eurjchem-827	158	26	tautomeric	tautomeric	ADJ
eurjchem-827	158	27	form	form	NOUN
eurjchem-827	158	28	.	.	PUNCT
eurjchem-827	159	1	3.5	3.5	NUM
eurjchem-827	159	2	.	.	PUNCT
eurjchem-827	160	1	potentiometric	potentiometric	ADJ
eurjchem-827	160	2	studies	study	NOUN
eurjchem-827	160	3	on	on	ADP
eurjchem-827	160	4	the	the	DET
eurjchem-827	160	5	stability	stability	NOUN
eurjchem-827	160	6	of	of	ADP
eurjchem-827	160	7	the	the	DET
eurjchem-827	160	8	complexes	complex	NOUN
eurjchem-827	160	9	the	the	DET
eurjchem-827	160	10	coordination	coordination	NOUN
eurjchem-827	160	11	behavior	behavior	NOUN
eurjchem-827	160	12	of	of	ADP
eurjchem-827	160	13	the	the	DET
eurjchem-827	160	14	ligand	ligand	NOUN
eurjchem-827	160	15	towards	towards	ADP
eurjchem-827	160	16	manganese(ii	manganese(ii	PROPN
eurjchem-827	160	17	)	)	PUNCT
eurjchem-827	160	18	,	,	PUNCT
eurjchem-827	160	19	cobalt(ii	cobalt(ii	PROPN
eurjchem-827	160	20	)	)	PUNCT
eurjchem-827	160	21	,	,	PUNCT
eurjchem-827	160	22	nickel(ii	nickel(ii	ADJ
eurjchem-827	160	23	)	)	PUNCT
eurjchem-827	160	24	and	and	CCONJ
eurjchem-827	160	25	copper(ii	copper(ii	ADJ
eurjchem-827	160	26	)	)	PUNCT
eurjchem-827	160	27	ions	ion	NOUN
eurjchem-827	160	28	was	be	AUX
eurjchem-827	160	29	studied	study	VERB
eurjchem-827	160	30	in	in	ADP
eurjchem-827	160	31	solution	solution	NOUN
eurjchem-827	160	32	by	by	ADP
eurjchem-827	160	33	potentiometry	potentiometry	NOUN
eurjchem-827	160	34	.	.	PUNCT
eurjchem-827	161	1	in	in	ADP
eurjchem-827	161	2	the	the	DET
eurjchem-827	161	3	case	case	NOUN
eurjchem-827	161	4	of	of	ADP
eurjchem-827	161	5	metal‐	metal‐	ADJ
eurjchem-827	161	6	ligand	ligand	NOUN
eurjchem-827	161	7	system	system	NOUN
eurjchem-827	161	8	,	,	PUNCT
eurjchem-827	161	9	the	the	DET
eurjchem-827	161	10	overall	overall	ADJ
eurjchem-827	161	11	stability	stability	NOUN
eurjchem-827	161	12	constant	constant	ADJ
eurjchem-827	161	13	βpqr	βpqr	NOUN
eurjchem-827	161	14	calculated	calculate	VERB
eurjchem-827	161	15	by	by	ADP
eurjchem-827	161	16	the	the	DET
eurjchem-827	161	17	sirko	sirko	PROPN
eurjchem-827	161	18	program	program	NOUN
eurjchem-827	161	19	are	be	AUX
eurjchem-827	161	20	defined	define	VERB
eurjchem-827	161	21	by	by	ADP
eurjchem-827	161	22	the	the	DET
eurjchem-827	161	23	equation	equation	NOUN
eurjchem-827	161	24	:	:	PUNCT
eurjchem-827	161	25	pm2	pm2	NOUN
eurjchem-827	161	26	+	+	NOUN
eurjchem-827	161	27	+	+	NUM
eurjchem-827	161	28	qh+	qh+	NOUN
eurjchem-827	161	29	+	+	CCONJ
eurjchem-827	161	30	rl2‐	rl2‐	NOUN
eurjchem-827	161	31	→	→	PUNCT
eurjchem-827	161	32	[	[	X
eurjchem-827	161	33	mphqlr](2p+q‐2r	mphqlr](2p+q‐2r	NOUN
eurjchem-827	161	34	)	)	PUNCT
eurjchem-827	161	35	βpqr	βpqr	NOUN
eurjchem-827	161	36	(	(	PUNCT
eurjchem-827	161	37	3	3	X
eurjchem-827	161	38	)	)	PUNCT
eurjchem-827	161	39	the	the	DET
eurjchem-827	161	40	species	specie	NOUN
eurjchem-827	161	41	distribution	distribution	NOUN
eurjchem-827	161	42	diagram	diagram	NOUN
eurjchem-827	161	43	of	of	ADP
eurjchem-827	161	44	the	the	DET
eurjchem-827	161	45	metal(ii)‐ligand	metal(ii)‐ligand	NOUN
eurjchem-827	161	46	as	as	ADP
eurjchem-827	161	47	function	function	NOUN
eurjchem-827	161	48	of	of	ADP
eurjchem-827	161	49	ph	ph	NOUN
eurjchem-827	161	50	are	be	AUX
eurjchem-827	161	51	reported	report	VERB
eurjchem-827	161	52	in	in	ADP
eurjchem-827	161	53	figure	figure	NOUN
eurjchem-827	161	54	5	5	NUM
eurjchem-827	161	55	.	.	PUNCT
eurjchem-827	162	1	the	the	DET
eurjchem-827	162	2	titration	titration	NOUN
eurjchem-827	162	3	curves	curve	NOUN
eurjchem-827	162	4	indicate	indicate	VERB
eurjchem-827	162	5	that	that	SCONJ
eurjchem-827	162	6	at	at	ADV
eurjchem-827	162	7	least	least	ADV
eurjchem-827	162	8	two	two	NUM
eurjchem-827	162	9	metallic	metallic	ADJ
eurjchem-827	162	10	species	specie	NOUN
eurjchem-827	162	11	was	be	AUX
eurjchem-827	162	12	formed	form	VERB
eurjchem-827	162	13	.	.	PUNCT
eurjchem-827	163	1	several	several	ADJ
eurjchem-827	163	2	models	model	NOUN
eurjchem-827	163	3	have	have	AUX
eurjchem-827	163	4	been	be	AUX
eurjchem-827	163	5	tested	test	VERB
eurjchem-827	163	6	.	.	PUNCT
eurjchem-827	164	1	the	the	DET
eurjchem-827	164	2	best	good	ADJ
eurjchem-827	164	3	fit	fit	NOUN
eurjchem-827	164	4	of	of	ADP
eurjchem-827	164	5	the	the	DET
eurjchem-827	164	6	titration	titration	NOUN
eurjchem-827	164	7	curve	curve	NOUN
eurjchem-827	164	8	is	be	AUX
eurjchem-827	164	9	obtained	obtain	VERB
eurjchem-827	164	10	with	with	ADP
eurjchem-827	164	11	considering	consider	VERB
eurjchem-827	164	12	the	the	DET
eurjchem-827	164	13	formation	formation	NOUN
eurjchem-827	164	14	of	of	ADP
eurjchem-827	164	15	only	only	ADV
eurjchem-827	164	16	[	[	PUNCT
eurjchem-827	164	17	mhl]+	mhl]+	NOUN
eurjchem-827	164	18	and	and	CCONJ
eurjchem-827	164	19	[	[	X
eurjchem-827	164	20	ml	ml	X
eurjchem-827	164	21	]	]	X
eurjchem-827	164	22	species	specie	NOUN
eurjchem-827	164	23	.	.	PUNCT
eurjchem-827	165	1	the	the	DET
eurjchem-827	165	2	values	value	NOUN
eurjchem-827	165	3	of	of	ADP
eurjchem-827	165	4	overall	overall	ADJ
eurjchem-827	165	5	stability	stability	NOUN
eurjchem-827	165	6	constants	constant	NOUN
eurjchem-827	165	7	(	(	PUNCT
eurjchem-827	165	8	log	log	VERB
eurjchem-827	165	9	βpqr	βpqr	NOUN
eurjchem-827	165	10	)	)	PUNCT
eurjchem-827	165	11	of	of	ADP
eurjchem-827	165	12	the	the	DET
eurjchem-827	165	13	complexes	complex	NOUN
eurjchem-827	165	14	are	be	AUX
eurjchem-827	165	15	listed	list	VERB
eurjchem-827	165	16	in	in	ADP
eurjchem-827	165	17	the	the	DET
eurjchem-827	165	18	table	table	NOUN
eurjchem-827	165	19	4	4	NUM
eurjchem-827	165	20	.	.	PUNCT
eurjchem-827	166	1	the	the	DET
eurjchem-827	166	2	stability	stability	NOUN
eurjchem-827	166	3	sequence	sequence	NOUN
eurjchem-827	166	4	observed	observe	VERB
eurjchem-827	166	5	for	for	ADP
eurjchem-827	166	6	the	the	DET
eurjchem-827	166	7	complexes	complex	NOUN
eurjchem-827	166	8	is	be	AUX
eurjchem-827	166	9	cu(ii	cu(ii	PROPN
eurjchem-827	166	10	)	)	PUNCT
eurjchem-827	166	11	>	>	X
eurjchem-827	167	1	ni(ii	ni(ii	PROPN
eurjchem-827	167	2	)	)	PUNCT
eurjchem-827	167	3	>	>	PUNCT
eurjchem-827	168	1	co(ii	co(ii	PROPN
eurjchem-827	168	2	>	>	X
eurjchem-827	168	3	mn(ii	mn(ii	PROPN
eurjchem-827	168	4	)	)	PUNCT
eurjchem-827	168	5	,	,	PUNCT
eurjchem-827	168	6	in	in	ADP
eurjchem-827	168	7	agreement	agreement	NOUN
eurjchem-827	168	8	with	with	ADP
eurjchem-827	168	9	irving‐williams	irving‐william	NOUN
eurjchem-827	168	10	series	series	NOUN
eurjchem-827	168	11	.	.	PUNCT
eurjchem-827	169	1	3.6	3.6	NUM
eurjchem-827	169	2	.	.	PUNCT
eurjchem-827	170	1	geometric	geometric	ADJ
eurjchem-827	170	2	optimization	optimization	NOUN
eurjchem-827	170	3	of	of	ADP
eurjchem-827	170	4	the	the	DET
eurjchem-827	170	5	complexes	complex	NOUN
eurjchem-827	170	6	by	by	ADP
eurjchem-827	170	7	dft	dft	PROPN
eurjchem-827	170	8	calculation	calculation	NOUN
eurjchem-827	170	9	to	to	PART
eurjchem-827	170	10	have	have	AUX
eurjchem-827	170	11	more	more	ADJ
eurjchem-827	170	12	insight	insight	NOUN
eurjchem-827	170	13	on	on	ADP
eurjchem-827	170	14	the	the	DET
eurjchem-827	170	15	interactions	interaction	NOUN
eurjchem-827	170	16	of	of	ADP
eurjchem-827	170	17	our	our	PRON
eurjchem-827	170	18	triazole	triazole	NOUN
eurjchem-827	170	19	ligand	ligand	NOUN
eurjchem-827	170	20	with	with	ADP
eurjchem-827	170	21	metals	metal	NOUN
eurjchem-827	170	22	,	,	PUNCT
eurjchem-827	170	23	research	research	NOUN
eurjchem-827	170	24	on	on	ADP
eurjchem-827	170	25	the	the	DET
eurjchem-827	170	26	geometry	geometry	NOUN
eurjchem-827	170	27	and	and	CCONJ
eurjchem-827	170	28	structures	structure	NOUN
eurjchem-827	170	29	of	of	ADP
eurjchem-827	170	30	triazole‐metal	triazole‐metal	ADJ
eurjchem-827	170	31	compounds	compound	NOUN
eurjchem-827	170	32	are	be	AUX
eurjchem-827	170	33	of	of	ADP
eurjchem-827	170	34	great	great	ADJ
eurjchem-827	170	35	importance	importance	NOUN
eurjchem-827	170	36	.	.	PUNCT
eurjchem-827	171	1	it	it	PRON
eurjchem-827	171	2	is	be	AUX
eurjchem-827	171	3	well	well	ADV
eurjchem-827	171	4	known	know	VERB
eurjchem-827	171	5	that	that	SCONJ
eurjchem-827	171	6	co(ii	co(ii	PROPN
eurjchem-827	171	7	)	)	PUNCT
eurjchem-827	171	8	and	and	CCONJ
eurjchem-827	171	9	mn(ii	mn(ii	PROPN
eurjchem-827	171	10	)	)	PUNCT
eurjchem-827	171	11	ions	ion	NOUN
eurjchem-827	171	12	are	be	AUX
eurjchem-827	171	13	inclined	incline	VERB
eurjchem-827	171	14	to	to	PART
eurjchem-827	171	15	adopt	adopt	VERB
eurjchem-827	171	16	octahedral	octahedral	ADJ
eurjchem-827	171	17	coordination	coordination	NOUN
eurjchem-827	171	18	geometry	geometry	NOUN
eurjchem-827	171	19	with	with	ADP
eurjchem-827	171	20	ligands	ligand	NOUN
eurjchem-827	171	21	.	.	PUNCT
eurjchem-827	172	1	the	the	DET
eurjchem-827	172	2	ligands	ligand	NOUN
eurjchem-827	172	3	act	act	VERB
eurjchem-827	172	4	as	as	ADP
eurjchem-827	172	5	monoanionic	monoanionic	ADJ
eurjchem-827	172	6	bidentate	bidentate	NOUN
eurjchem-827	172	7	and	and	CCONJ
eurjchem-827	172	8	coordinate	coordinate	NOUN
eurjchem-827	172	9	to	to	ADP
eurjchem-827	172	10	cu(ii	cu(ii	PROPN
eurjchem-827	172	11	)	)	PUNCT
eurjchem-827	172	12	,	,	PUNCT
eurjchem-827	172	13	ni(ii	ni(ii	PROPN
eurjchem-827	172	14	)	)	PUNCT
eurjchem-827	172	15	,	,	PUNCT
eurjchem-827	172	16	co(ii	co(ii	PROPN
eurjchem-827	172	17	)	)	PUNCT
eurjchem-827	172	18	and	and	CCONJ
eurjchem-827	172	19	mn(ii	mn(ii	PROPN
eurjchem-827	172	20	)	)	PUNCT
eurjchem-827	172	21	ions	ion	NOUN
eurjchem-827	172	22	generating	generating	NOUN
eurjchem-827	172	23	complexes	complex	NOUN
eurjchem-827	172	24	of	of	ADP
eurjchem-827	172	25	general	general	ADJ
eurjchem-827	172	26	formula	formula	NOUN
eurjchem-827	172	27	[	[	X
eurjchem-827	172	28	mhl]+	mhl]+	NOUN
eurjchem-827	172	29	and	and	CCONJ
eurjchem-827	172	30	[	[	X
eurjchem-827	172	31	ml	ml	X
eurjchem-827	172	32	]	]	PUNCT
eurjchem-827	172	33	.	.	PUNCT
eurjchem-827	173	1	the	the	DET
eurjchem-827	173	2	more	more	ADV
eurjchem-827	173	3	significant	significant	ADJ
eurjchem-827	173	4	specie	specie	NOUN
eurjchem-827	173	5	obtained	obtain	VERB
eurjchem-827	173	6	by	by	ADP
eurjchem-827	173	7	potentiometric	potentiometric	ADJ
eurjchem-827	173	8	titrations	titration	NOUN
eurjchem-827	173	9	carried	carry	VERB
eurjchem-827	173	10	out	out	ADP
eurjchem-827	173	11	in	in	ADP
eurjchem-827	173	12	water‐ethanol	water‐ethanol	PROPN
eurjchem-827	173	13	(	(	PUNCT
eurjchem-827	173	14	90:10	90:10	NUM
eurjchem-827	173	15	,	,	PUNCT
eurjchem-827	173	16	v	v	NOUN
eurjchem-827	173	17	:	:	PUNCT
eurjchem-827	173	18	v	v	NOUN
eurjchem-827	173	19	)	)	PUNCT
eurjchem-827	173	20	solution	solution	NOUN
eurjchem-827	173	21	is	be	AUX
eurjchem-827	173	22	the	the	DET
eurjchem-827	173	23	complex	complex	ADJ
eurjchem-827	173	24	[	[	X
eurjchem-827	173	25	mhl	mhl	X
eurjchem-827	173	26	]	]	X
eurjchem-827	174	1	+	+	X
eurjchem-827	174	2	.	.	PUNCT
eurjchem-827	175	1	the	the	DET
eurjchem-827	175	2	ligand	ligand	NOUN
eurjchem-827	175	3	is	be	AUX
eurjchem-827	175	4	coordinated	coordinate	VERB
eurjchem-827	175	5	in	in	ADP
eurjchem-827	175	6	a	a	DET
eurjchem-827	175	7	bidentate	bidentate	ADJ
eurjchem-827	175	8	way	way	NOUN
eurjchem-827	175	9	after	after	ADP
eurjchem-827	175	10	deprotonation	deprotonation	NOUN
eurjchem-827	175	11	.	.	PUNCT
eurjchem-827	176	1	notice	notice	VERB
eurjchem-827	176	2	that	that	SCONJ
eurjchem-827	176	3	the	the	DET
eurjchem-827	176	4	ligand	ligand	NOUN
eurjchem-827	176	5	can	can	AUX
eurjchem-827	176	6	exhibit	exhibit	VERB
eurjchem-827	176	7	thione‐thiol	thione‐thiol	PROPN
eurjchem-827	176	8	tautomerism	tautomerism	NOUN
eurjchem-827	176	9	(	(	PUNCT
eurjchem-827	176	10	hn‐c	hn‐c	NOUN
eurjchem-827	176	11	=	=	SYM
eurjchem-827	176	12	s	s	X
eurjchem-827	176	13	↔	↔	PROPN
eurjchem-827	176	14	n	n	CCONJ
eurjchem-827	176	15	=	=	NOUN
eurjchem-827	176	16	c‐sh	c‐sh	NOUN
eurjchem-827	176	17	)	)	PUNCT
eurjchem-827	176	18	,	,	PUNCT
eurjchem-827	176	19	then	then	ADV
eurjchem-827	176	20	the	the	DET
eurjchem-827	176	21	labile	labile	ADJ
eurjchem-827	176	22	hydrogen	hydrogen	NOUN
eurjchem-827	176	23	atom	atom	NOUN
eurjchem-827	176	24	may	may	AUX
eurjchem-827	176	25	be	be	AUX
eurjchem-827	176	26	attached	attach	VERB
eurjchem-827	176	27	to	to	ADP
eurjchem-827	176	28	either	either	CCONJ
eurjchem-827	176	29	nitrogen	nitrogen	NOUN
eurjchem-827	176	30	or	or	CCONJ
eurjchem-827	176	31	sulfur	sulfur	NOUN
eurjchem-827	176	32	atom	atom	NOUN
eurjchem-827	176	33	.	.	PUNCT
eurjchem-827	177	1	290	290	NUM
eurjchem-827	177	2	lechani	lechani	X
eurjchem-827	177	3	et	et	PROPN
eurjchem-827	177	4	al	al	PROPN
eurjchem-827	177	5	.	.	PUNCT
eurjchem-827	177	6	/	/	SYM
eurjchem-827	177	7	european	european	PROPN
eurjchem-827	177	8	journal	journal	PROPN
eurjchem-827	177	9	of	of	ADP
eurjchem-827	177	10	chemistry	chemistry	NOUN
eurjchem-827	177	11	4	4	NUM
eurjchem-827	177	12	(	(	PUNCT
eurjchem-827	177	13	3	3	NUM
eurjchem-827	177	14	)	)	PUNCT
eurjchem-827	177	15	(	(	PUNCT
eurjchem-827	177	16	2013	2013	NUM
eurjchem-827	177	17	)	)	PUNCT
eurjchem-827	177	18	285‐291	285‐291	NUM
eurjchem-827	177	19	figure	figure	NOUN
eurjchem-827	177	20	5	5	NUM
eurjchem-827	177	21	.	.	PUNCT
eurjchem-827	177	22	species	specie	NOUN
eurjchem-827	177	23	distribution	distribution	NOUN
eurjchem-827	177	24	diagram	diagram	NOUN
eurjchem-827	177	25	of	of	ADP
eurjchem-827	177	26	the	the	DET
eurjchem-827	177	27	mn(ii	mn(ii	PROPN
eurjchem-827	177	28	)	)	PUNCT
eurjchem-827	177	29	,	,	PUNCT
eurjchem-827	177	30	co(ii	co(ii	PROPN
eurjchem-827	177	31	)	)	PUNCT
eurjchem-827	177	32	,	,	PUNCT
eurjchem-827	177	33	ni(ii	ni(ii	PROPN
eurjchem-827	177	34	)	)	PUNCT
eurjchem-827	177	35	and	and	CCONJ
eurjchem-827	177	36	cu(ii	cu(ii	PROPN
eurjchem-827	177	37	)	)	PUNCT
eurjchem-827	177	38	complexes	complex	NOUN
eurjchem-827	177	39	.	.	PUNCT
eurjchem-827	178	1	figure	figure	NOUN
eurjchem-827	178	2	6	6	NUM
eurjchem-827	178	3	.	.	PUNCT
eurjchem-827	178	4	possible	possible	ADJ
eurjchem-827	178	5	structure	structure	NOUN
eurjchem-827	178	6	of	of	ADP
eurjchem-827	178	7	[	[	X
eurjchem-827	178	8	mhl]+	mhl]+	NOUN
eurjchem-827	178	9	complexes	complex	NOUN
eurjchem-827	178	10	(	(	PUNCT
eurjchem-827	178	11	m=	m=	X
eurjchem-827	178	12	co(ii	co(ii	PROPN
eurjchem-827	178	13	)	)	PUNCT
eurjchem-827	178	14	and	and	CCONJ
eurjchem-827	178	15	mn(ii	mn(ii	PROPN
eurjchem-827	178	16	)	)	PUNCT
eurjchem-827	178	17	)	)	PUNCT
eurjchem-827	178	18	.	.	PUNCT
eurjchem-827	179	1	it	it	PRON
eurjchem-827	179	2	must	must	AUX
eurjchem-827	179	3	be	be	AUX
eurjchem-827	179	4	outlined	outline	VERB
eurjchem-827	179	5	that	that	SCONJ
eurjchem-827	179	6	the	the	DET
eurjchem-827	179	7	resulting	result	VERB
eurjchem-827	179	8	protonation	protonation	NOUN
eurjchem-827	179	9	constant	constant	ADJ
eurjchem-827	179	10	values	value	NOUN
eurjchem-827	179	11	obtained	obtain	VERB
eurjchem-827	179	12	in	in	ADP
eurjchem-827	179	13	this	this	DET
eurjchem-827	179	14	study	study	NOUN
eurjchem-827	179	15	for	for	ADP
eurjchem-827	179	16	the	the	DET
eurjchem-827	179	17	ligand	ligand	NOUN
eurjchem-827	179	18	,	,	PUNCT
eurjchem-827	179	19	leads	lead	VERB
eurjchem-827	179	20	to	to	ADP
eurjchem-827	179	21	the	the	DET
eurjchem-827	179	22	conclusion	conclusion	NOUN
eurjchem-827	179	23	that	that	SCONJ
eurjchem-827	179	24	the	the	DET
eurjchem-827	179	25	protons	proton	NOUN
eurjchem-827	179	26	of	of	ADP
eurjchem-827	179	27	the	the	DET
eurjchem-827	179	28	s‐h	s‐h	PROPN
eurjchem-827	179	29	of	of	ADP
eurjchem-827	179	30	the	the	DET
eurjchem-827	179	31	thiol	thiol	ADJ
eurjchem-827	179	32	form	form	NOUN
eurjchem-827	179	33	or	or	CCONJ
eurjchem-827	179	34	n‐h	n‐h	PRON
eurjchem-827	179	35	of	of	ADP
eurjchem-827	179	36	the	the	DET
eurjchem-827	179	37	endocyclic	endocyclic	ADJ
eurjchem-827	179	38	nitrogen	nitrogen	NOUN
eurjchem-827	179	39	atom	atom	NOUN
eurjchem-827	179	40	present	present	NOUN
eurjchem-827	179	41	in	in	ADP
eurjchem-827	179	42	thione	thione	ADJ
eurjchem-827	179	43	tautomeric	tautomeric	ADJ
eurjchem-827	179	44	form	form	NOUN
eurjchem-827	179	45	are	be	AUX
eurjchem-827	179	46	the	the	DET
eurjchem-827	179	47	first	first	ADJ
eurjchem-827	179	48	deprotonated	deprotonated	ADJ
eurjchem-827	179	49	sites	site	NOUN
eurjchem-827	179	50	in	in	ADP
eurjchem-827	179	51	aqueous	aqueous	ADJ
eurjchem-827	179	52	solution	solution	NOUN
eurjchem-827	179	53	.	.	PUNCT
eurjchem-827	180	1	the	the	DET
eurjchem-827	180	2	preferable	preferable	ADJ
eurjchem-827	180	3	coordination	coordination	NOUN
eurjchem-827	180	4	modes	mode	NOUN
eurjchem-827	180	5	of	of	ADP
eurjchem-827	180	6	4‐amino‐5‐	4‐amino‐5‐	NUM
eurjchem-827	180	7	mercapto‐1,2,4‐triazole	mercapto‐1,2,4‐triazole	NOUN
eurjchem-827	180	8	to	to	PART
eurjchem-827	180	9	bond	bond	VERB
eurjchem-827	180	10	with	with	ADP
eurjchem-827	180	11	metal	metal	NOUN
eurjchem-827	180	12	ions	ion	NOUN
eurjchem-827	180	13	is	be	AUX
eurjchem-827	180	14	usually	usually	ADV
eurjchem-827	180	15	through	through	ADP
eurjchem-827	180	16	s	s	NOUN
eurjchem-827	180	17	=	=	NOUN
eurjchem-827	180	18	c‐n‐n	c‐n‐n	NOUN
eurjchem-827	180	19	which	which	PRON
eurjchem-827	180	20	is	be	AUX
eurjchem-827	180	21	a	a	DET
eurjchem-827	180	22	bidentate	bidentate	ADJ
eurjchem-827	180	23	mode	mode	NOUN
eurjchem-827	180	24	able	able	ADJ
eurjchem-827	180	25	to	to	PART
eurjchem-827	180	26	form	form	VERB
eurjchem-827	180	27	stable	stable	ADJ
eurjchem-827	180	28	five‐membered	five‐membere	VERB
eurjchem-827	180	29	rings	ring	NOUN
eurjchem-827	180	30	with	with	ADP
eurjchem-827	180	31	the	the	DET
eurjchem-827	180	32	transition	transition	NOUN
eurjchem-827	180	33	metals	metal	NOUN
eurjchem-827	180	34	.	.	PUNCT
eurjchem-827	181	1	based	base	VERB
eurjchem-827	181	2	on	on	ADP
eurjchem-827	181	3	the	the	DET
eurjchem-827	181	4	literatures	literature	NOUN
eurjchem-827	181	5	,	,	PUNCT
eurjchem-827	181	6	the	the	DET
eurjchem-827	181	7	coordination	coordination	NOUN
eurjchem-827	181	8	modes	mode	NOUN
eurjchem-827	181	9	adopted	adopt	VERB
eurjchem-827	181	10	in	in	ADP
eurjchem-827	181	11	this	this	DET
eurjchem-827	181	12	study	study	NOUN
eurjchem-827	181	13	for	for	ADP
eurjchem-827	181	14	the	the	DET
eurjchem-827	181	15	ligand	ligand	NOUN
eurjchem-827	181	16	is	be	AUX
eurjchem-827	181	17	presented	present	VERB
eurjchem-827	181	18	in	in	ADP
eurjchem-827	181	19	figure	figure	NOUN
eurjchem-827	181	20	6	6	NUM
eurjchem-827	181	21	.	.	PUNCT
eurjchem-827	181	22	quantum	quantum	PROPN
eurjchem-827	181	23	chemical	chemical	PROPN
eurjchem-827	181	24	dft	dft	PROPN
eurjchem-827	181	25	method	method	NOUN
eurjchem-827	181	26	was	be	AUX
eurjchem-827	181	27	employed	employ	VERB
eurjchem-827	181	28	to	to	PART
eurjchem-827	181	29	model	model	VERB
eurjchem-827	181	30	the	the	DET
eurjchem-827	181	31	geometry	geometry	NOUN
eurjchem-827	181	32	of	of	ADP
eurjchem-827	181	33	the	the	DET
eurjchem-827	181	34	complexes	complex	NOUN
eurjchem-827	181	35	.	.	PUNCT
eurjchem-827	182	1	selected	select	VERB
eurjchem-827	182	2	structural	structural	ADJ
eurjchem-827	182	3	parameters	parameter	NOUN
eurjchem-827	182	4	of	of	ADP
eurjchem-827	182	5	[	[	X
eurjchem-827	182	6	mhl]+	mhl]+	NOUN
eurjchem-827	182	7	complexes	complex	NOUN
eurjchem-827	182	8	(	(	PUNCT
eurjchem-827	182	9	m	m	NOUN
eurjchem-827	182	10	=	=	SYM
eurjchem-827	182	11	co(ii	co(ii	PROPN
eurjchem-827	182	12	)	)	PUNCT
eurjchem-827	182	13	and	and	CCONJ
eurjchem-827	182	14	mn(ii	mn(ii	PROPN
eurjchem-827	182	15	)	)	PUNCT
eurjchem-827	182	16	)	)	PUNCT
eurjchem-827	182	17	are	be	AUX
eurjchem-827	182	18	listed	list	VERB
eurjchem-827	182	19	in	in	ADP
eurjchem-827	182	20	table	table	NOUN
eurjchem-827	182	21	5	5	NUM
eurjchem-827	182	22	.	.	PUNCT
eurjchem-827	183	1	the	the	DET
eurjchem-827	183	2	mn	mn	PROPN
eurjchem-827	183	3	and	and	CCONJ
eurjchem-827	183	4	co	co	ADJ
eurjchem-827	183	5	metal	metal	NOUN
eurjchem-827	183	6	atoms	atom	NOUN
eurjchem-827	183	7	display	display	VERB
eurjchem-827	183	8	a	a	DET
eurjchem-827	183	9	distorted	distorted	ADJ
eurjchem-827	183	10	octahedral	octahedral	ADJ
eurjchem-827	183	11	environment	environment	NOUN
eurjchem-827	183	12	(	(	PUNCT
eurjchem-827	183	13	see	see	VERB
eurjchem-827	183	14	optimized	optimize	VERB
eurjchem-827	183	15	geometry	geometry	NOUN
eurjchem-827	183	16	included	include	VERB
eurjchem-827	183	17	in	in	ADP
eurjchem-827	183	18	table	table	NOUN
eurjchem-827	183	19	5	5	NUM
eurjchem-827	183	20	)	)	PUNCT
eurjchem-827	183	21	.	.	PUNCT
eurjchem-827	184	1	in	in	ADP
eurjchem-827	184	2	the	the	DET
eurjchem-827	184	3	reported	report	VERB
eurjchem-827	184	4	structure	structure	NOUN
eurjchem-827	184	5	,	,	PUNCT
eurjchem-827	184	6	the	the	DET
eurjchem-827	184	7	average	average	ADJ
eurjchem-827	184	8	mn	mn	PROPN
eurjchem-827	184	9	–	–	PUNCT
eurjchem-827	184	10	oh2	oh2	NOUN
eurjchem-827	184	11	distance	distance	NOUN
eurjchem-827	184	12	is	be	AUX
eurjchem-827	184	13	2.118	2.118	NUM
eurjchem-827	184	14	å	å	PROPN
eurjchem-827	184	15	and	and	CCONJ
eurjchem-827	184	16	the	the	DET
eurjchem-827	184	17	average	average	ADJ
eurjchem-827	184	18	co	co	NOUN
eurjchem-827	184	19	–	–	PUNCT
eurjchem-827	184	20	oh2	oh2	NOUN
eurjchem-827	184	21	distance	distance	NOUN
eurjchem-827	184	22	is	be	AUX
eurjchem-827	184	23	2.179	2.179	NUM
eurjchem-827	184	24	.	.	PUNCT
eurjchem-827	185	1	another	another	DET
eurjchem-827	185	2	relevant	relevant	ADJ
eurjchem-827	185	3	structural	structural	ADJ
eurjchem-827	185	4	parameter	parameter	NOUN
eurjchem-827	185	5	is	be	AUX
eurjchem-827	185	6	the	the	DET
eurjchem-827	185	7	n	n	CCONJ
eurjchem-827	185	8	–	–	PUNCT
eurjchem-827	185	9	m	m	NUM
eurjchem-827	185	10	–	–	PUNCT
eurjchem-827	185	11	s	s	PART
eurjchem-827	185	12	angle	angle	NOUN
eurjchem-827	185	13	.	.	PUNCT
eurjchem-827	186	1	in	in	ADP
eurjchem-827	186	2	the	the	DET
eurjchem-827	186	3	present	present	ADJ
eurjchem-827	186	4	investigation	investigation	NOUN
eurjchem-827	186	5	,	,	PUNCT
eurjchem-827	186	6	the	the	DET
eurjchem-827	186	7	angle	angle	NOUN
eurjchem-827	186	8	is	be	AUX
eurjchem-827	186	9	86.6	86.6	NUM
eurjchem-827	186	10	°	°	NOUN
eurjchem-827	186	11	for	for	ADP
eurjchem-827	186	12	n	n	CCONJ
eurjchem-827	186	13	–	–	PUNCT
eurjchem-827	186	14	mn	mn	PROPN
eurjchem-827	186	15	–	–	PUNCT
eurjchem-827	186	16	s	s	X
eurjchem-827	186	17	and	and	CCONJ
eurjchem-827	186	18	87.0	87.0	NUM
eurjchem-827	186	19	°	°	NOUN
eurjchem-827	186	20	for	for	ADP
eurjchem-827	186	21	n	n	CCONJ
eurjchem-827	186	22	–	–	PUNCT
eurjchem-827	186	23	co	co	VERB
eurjchem-827	186	24	–	–	PUNCT
eurjchem-827	186	25	s	s	PART
eurjchem-827	186	26	,	,	PUNCT
eurjchem-827	186	27	these	these	DET
eurjchem-827	186	28	values	value	NOUN
eurjchem-827	186	29	fit	fit	VERB
eurjchem-827	186	30	nicely	nicely	ADV
eurjchem-827	186	31	in	in	ADP
eurjchem-827	186	32	the	the	DET
eurjchem-827	186	33	range	range	NOUN
eurjchem-827	186	34	shown	show	VERB
eurjchem-827	186	35	by	by	ADP
eurjchem-827	186	36	the	the	DET
eurjchem-827	186	37	compounds	compound	NOUN
eurjchem-827	186	38	having	have	VERB
eurjchem-827	186	39	the	the	DET
eurjchem-827	186	40	same	same	ADJ
eurjchem-827	186	41	coordination	coordination	NOUN
eurjchem-827	186	42	environment	environment	NOUN
eurjchem-827	187	1	[	[	X
eurjchem-827	187	2	23	23	NUM
eurjchem-827	187	3	]	]	PUNCT
eurjchem-827	187	4	.	.	PUNCT
eurjchem-827	188	1	4	4	X
eurjchem-827	188	2	.	.	X
eurjchem-827	188	3	conclusion	conclusion	VERB
eurjchem-827	188	4	the	the	DET
eurjchem-827	188	5	synthesis	synthesis	NOUN
eurjchem-827	188	6	of	of	ADP
eurjchem-827	188	7	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	NUM
eurjchem-827	188	8	3h‐1,2,4‐triazole‐3‐thione	3h‐1,2,4‐triazole‐3‐thione	NUM
eurjchem-827	188	9	ligand	ligand	NOUN
eurjchem-827	188	10	and	and	CCONJ
eurjchem-827	188	11	its	its	PRON
eurjchem-827	188	12	characterization	characterization	NOUN
eurjchem-827	188	13	using	use	VERB
eurjchem-827	188	14	spectroscopic	spectroscopic	NOUN
eurjchem-827	188	15	(	(	PUNCT
eurjchem-827	188	16	ir	ir	INTJ
eurjchem-827	188	17	solid‐state	solid‐state	NOUN
eurjchem-827	188	18	,	,	PUNCT
eurjchem-827	188	19	uv	uv	NOUN
eurjchem-827	188	20	/	/	SYM
eurjchem-827	188	21	vis	vis	X
eurjchem-827	188	22	,	,	PUNCT
eurjchem-827	188	23	1h	1h	NUM
eurjchem-827	188	24	and	and	CCONJ
eurjchem-827	188	25	13c	13c	NOUN
eurjchem-827	188	26	solution‐state	solution‐state	VERB
eurjchem-827	188	27	)	)	PUNCT
eurjchem-827	188	28	methods	method	NOUN
eurjchem-827	188	29	has	have	AUX
eurjchem-827	188	30	been	be	AUX
eurjchem-827	188	31	reported	report	VERB
eurjchem-827	188	32	.	.	PUNCT
eurjchem-827	189	1	dft	dft	PROPN
eurjchem-827	189	2	calculations	calculation	NOUN
eurjchem-827	189	3	have	have	AUX
eurjchem-827	189	4	been	be	AUX
eurjchem-827	189	5	applied	apply	VERB
eurjchem-827	189	6	to	to	ADP
eurjchem-827	189	7	the	the	DET
eurjchem-827	189	8	study	study	NOUN
eurjchem-827	189	9	of	of	ADP
eurjchem-827	189	10	structures	structure	NOUN
eurjchem-827	189	11	and	and	CCONJ
eurjchem-827	189	12	the	the	DET
eurjchem-827	189	13	acidity	acidity	NOUN
eurjchem-827	189	14	constants	constant	NOUN
eurjchem-827	189	15	of	of	ADP
eurjchem-827	189	16	the	the	DET
eurjchem-827	189	17	two	two	NUM
eurjchem-827	189	18	possible	possible	ADJ
eurjchem-827	189	19	tautomers	tautomer	NOUN
eurjchem-827	189	20	of	of	ADP
eurjchem-827	189	21	the	the	DET
eurjchem-827	189	22	ligand	ligand	NOUN
eurjchem-827	189	23	,	,	PUNCT
eurjchem-827	189	24	using	use	VERB
eurjchem-827	189	25	the	the	DET
eurjchem-827	189	26	b3lyp/6‐	b3lyp/6‐	NOUN
eurjchem-827	189	27	31+g(d	31+g(d	NUM
eurjchem-827	189	28	,	,	PUNCT
eurjchem-827	189	29	p	p	NOUN
eurjchem-827	189	30	)	)	PUNCT
eurjchem-827	189	31	level	level	NOUN
eurjchem-827	189	32	of	of	ADP
eurjchem-827	189	33	theory	theory	NOUN
eurjchem-827	189	34	.	.	PUNCT
eurjchem-827	190	1	lechani	lechani	PROPN
eurjchem-827	190	2	et	et	PROPN
eurjchem-827	190	3	al	al	PROPN
eurjchem-827	190	4	.	.	PUNCT
eurjchem-827	190	5	/	/	SYM
eurjchem-827	190	6	european	european	PROPN
eurjchem-827	190	7	journal	journal	PROPN
eurjchem-827	190	8	of	of	ADP
eurjchem-827	190	9	chemistry	chemistry	NOUN
eurjchem-827	190	10	4	4	NUM
eurjchem-827	190	11	(	(	PUNCT
eurjchem-827	190	12	3	3	NUM
eurjchem-827	190	13	)	)	PUNCT
eurjchem-827	190	14	(	(	PUNCT
eurjchem-827	190	15	2013	2013	NUM
eurjchem-827	190	16	)	)	PUNCT
eurjchem-827	190	17	285‐291	285‐291	NUM
eurjchem-827	190	18	291	291	NUM
eurjchem-827	190	19	table	table	NOUN
eurjchem-827	190	20	5	5	NUM
eurjchem-827	190	21	.	.	PUNCT
eurjchem-827	190	22	selected	select	VERB
eurjchem-827	190	23	interatomic	interatomic	ADJ
eurjchem-827	190	24	distances	distance	NOUN
eurjchem-827	190	25	(	(	PUNCT
eurjchem-827	190	26	å	å	NOUN
eurjchem-827	190	27	)	)	PUNCT
eurjchem-827	190	28	and	and	CCONJ
eurjchem-827	190	29	angles	angle	NOUN
eurjchem-827	190	30	(	(	PUNCT
eurjchem-827	190	31	°	°	NOUN
eurjchem-827	190	32	)	)	PUNCT
eurjchem-827	190	33	for	for	ADP
eurjchem-827	190	34	complexes	complex	NOUN
eurjchem-827	190	35	obtained	obtain	VERB
eurjchem-827	190	36	at	at	ADP
eurjchem-827	190	37	b3lyp	b3lyp	NUM
eurjchem-827	190	38	level	level	NOUN
eurjchem-827	190	39	.	.	PUNCT
eurjchem-827	191	1	for	for	ADP
eurjchem-827	191	2	numbering	numbering	NOUN
eurjchem-827	191	3	of	of	ADP
eurjchem-827	191	4	the	the	DET
eurjchem-827	191	5	atoms	atom	NOUN
eurjchem-827	191	6	see	see	VERB
eurjchem-827	191	7	figure	figure	NOUN
eurjchem-827	191	8	2	2	NUM
eurjchem-827	191	9	.	.	PUNCT
eurjchem-827	191	10	optimized	optimize	VERB
eurjchem-827	191	11	geometry	geometry	NOUN
eurjchem-827	191	12	of	of	ADP
eurjchem-827	191	13	complexes	complex	NOUN
eurjchem-827	191	14	(	(	PUNCT
eurjchem-827	191	15	m	m	NOUN
eurjchem-827	191	16	=	=	SYM
eurjchem-827	191	17	co(ii	co(ii	PROPN
eurjchem-827	191	18	)	)	PUNCT
eurjchem-827	191	19	and	and	CCONJ
eurjchem-827	191	20	mn(ii	mn(ii	PROPN
eurjchem-827	191	21	)	)	PUNCT
eurjchem-827	191	22	)	)	PUNCT
eurjchem-827	192	1	mn	mn	PROPN
eurjchem-827	192	2	co	co	PROPN
eurjchem-827	192	3	bond	bond	PROPN
eurjchem-827	192	4	length	length	NOUN
eurjchem-827	192	5	m‐s	m‐	VERB
eurjchem-827	192	6	2.351	2.351	NUM
eurjchem-827	192	7	2.304	2.304	NUM
eurjchem-827	192	8	m‐n4	m‐n4	NUM
eurjchem-827	192	9	2.108	2.108	NUM
eurjchem-827	192	10	2.045	2.045	NUM
eurjchem-827	192	11	s‐c8	s‐c8	NUM
eurjchem-827	192	12	1.754	1.754	NUM
eurjchem-827	192	13	1.752	1.752	NUM
eurjchem-827	192	14	n1‐n4	n1‐n4	ADP
eurjchem-827	192	15	1.417	1.417	NUM
eurjchem-827	192	16	1.416	1.416	NUM
eurjchem-827	192	17	oh∙∙∙∙n4	oh∙∙∙∙n4	ADP
eurjchem-827	192	18	1.875	1.875	NUM
eurjchem-827	192	19	1.929	1.929	NUM
eurjchem-827	192	20	m‐oh2	m‐oh2	NOUN
eurjchem-827	192	21	2.104	2.104	NUM
eurjchem-827	192	22	2.030	2.030	NUM
eurjchem-827	192	23	m‐oh2	m‐oh2	NOUN
eurjchem-827	192	24	2.136	2.136	NUM
eurjchem-827	192	25	2.070	2.070	NUM
eurjchem-827	192	26	m‐oh2	m‐oh2	NOUN
eurjchem-827	192	27	2.123	2.123	NUM
eurjchem-827	192	28	2.269	2.269	NUM
eurjchem-827	192	29	m‐oh2	m‐oh2	NOUN
eurjchem-827	192	30	2.110	2.110	NUM
eurjchem-827	192	31	2.346	2.346	NUM
eurjchem-827	192	32	bond	bond	NOUN
eurjchem-827	192	33	angle	angle	NOUN
eurjchem-827	192	34	n4‐m‐s	n4‐m‐s	X
eurjchem-827	192	35	86.6	86.6	NUM
eurjchem-827	192	36	87.0	87.0	NUM
eurjchem-827	192	37	spectroscopic	spectroscopic	ADJ
eurjchem-827	192	38	studies	study	NOUN
eurjchem-827	192	39	and	and	CCONJ
eurjchem-827	192	40	dft	dft	PROPN
eurjchem-827	192	41	calculations	calculation	NOUN
eurjchem-827	192	42	on	on	ADP
eurjchem-827	192	43	the	the	DET
eurjchem-827	192	44	ligand	ligand	NOUN
eurjchem-827	192	45	show	show	NOUN
eurjchem-827	192	46	that	that	SCONJ
eurjchem-827	192	47	the	the	DET
eurjchem-827	192	48	thione	thione	NOUN
eurjchem-827	192	49	is	be	AUX
eurjchem-827	192	50	the	the	DET
eurjchem-827	192	51	prevalent	prevalent	ADJ
eurjchem-827	192	52	form	form	NOUN
eurjchem-827	192	53	in	in	ADP
eurjchem-827	192	54	both	both	DET
eurjchem-827	192	55	solution	solution	NOUN
eurjchem-827	192	56	and	and	CCONJ
eurjchem-827	192	57	solid	solid	ADJ
eurjchem-827	192	58	states	state	NOUN
eurjchem-827	192	59	.	.	PUNCT
eurjchem-827	193	1	according	accord	VERB
eurjchem-827	193	2	to	to	ADP
eurjchem-827	193	3	dft	dft	PROPN
eurjchem-827	193	4	calculations	calculation	NOUN
eurjchem-827	193	5	three	three	NUM
eurjchem-827	193	6	strong	strong	ADJ
eurjchem-827	193	7	hydrogen	hydrogen	NOUN
eurjchem-827	193	8	bonds	bond	NOUN
eurjchem-827	193	9	stabilize	stabilize	VERB
eurjchem-827	193	10	the	the	DET
eurjchem-827	193	11	thione	thione	NOUN
eurjchem-827	193	12	form	form	NOUN
eurjchem-827	193	13	.	.	PUNCT
eurjchem-827	194	1	potentiometric	potentiometric	ADJ
eurjchem-827	194	2	titration	titration	NOUN
eurjchem-827	194	3	of	of	ADP
eurjchem-827	194	4	the	the	DET
eurjchem-827	194	5	ligand	ligand	NOUN
eurjchem-827	194	6	in	in	ADP
eurjchem-827	194	7	water‐ethanol	water‐ethanol	PROPN
eurjchem-827	194	8	(	(	PUNCT
eurjchem-827	194	9	90:10	90:10	NUM
eurjchem-827	194	10	,	,	PUNCT
eurjchem-827	194	11	v	v	NOUN
eurjchem-827	194	12	:	:	PUNCT
eurjchem-827	194	13	v	v	NOUN
eurjchem-827	194	14	)	)	PUNCT
eurjchem-827	194	15	mixture	mixture	NOUN
eurjchem-827	194	16	allows	allow	VERB
eurjchem-827	194	17	to	to	ADP
eurjchem-827	194	18	the	the	DET
eurjchem-827	194	19	determination	determination	NOUN
eurjchem-827	194	20	of	of	ADP
eurjchem-827	194	21	its	its	PRON
eurjchem-827	194	22	protonation	protonation	NOUN
eurjchem-827	194	23	constants	constant	VERB
eurjchem-827	194	24	3.7	3.7	NUM
eurjchem-827	194	25	;	;	PUNCT
eurjchem-827	194	26	7.5	7.5	NUM
eurjchem-827	194	27	and	and	CCONJ
eurjchem-827	194	28	9.7	9.7	NUM
eurjchem-827	194	29	.	.	PUNCT
eurjchem-827	195	1	calculated	calculate	VERB
eurjchem-827	195	2	absolute	absolute	PROPN
eurjchem-827	195	3	pka	pka	PROPN
eurjchem-827	195	4	values	value	NOUN
eurjchem-827	195	5	obtained	obtain	VERB
eurjchem-827	195	6	at	at	ADP
eurjchem-827	195	7	b3lyp/6‐31+g(d	b3lyp/6‐31+g(d	NUM
eurjchem-827	195	8	,	,	PUNCT
eurjchem-827	195	9	p	p	NOUN
eurjchem-827	195	10	)	)	PUNCT
eurjchem-827	195	11	level	level	NOUN
eurjchem-827	195	12	were	be	AUX
eurjchem-827	195	13	found	find	VERB
eurjchem-827	195	14	to	to	PART
eurjchem-827	195	15	be	be	AUX
eurjchem-827	195	16	in	in	ADP
eurjchem-827	195	17	agreement	agreement	NOUN
eurjchem-827	195	18	with	with	ADP
eurjchem-827	195	19	the	the	DET
eurjchem-827	195	20	measured	measured	ADJ
eurjchem-827	195	21	values	value	NOUN
eurjchem-827	195	22	,	,	PUNCT
eurjchem-827	195	23	confirming	confirm	VERB
eurjchem-827	195	24	high	high	ADJ
eurjchem-827	195	25	predictive	predictive	ADJ
eurjchem-827	195	26	power	power	NOUN
eurjchem-827	195	27	of	of	ADP
eurjchem-827	195	28	the	the	DET
eurjchem-827	195	29	theoretical	theoretical	ADJ
eurjchem-827	195	30	approach	approach	NOUN
eurjchem-827	195	31	used	use	VERB
eurjchem-827	195	32	.	.	PUNCT
eurjchem-827	196	1	the	the	DET
eurjchem-827	196	2	stability	stability	NOUN
eurjchem-827	196	3	constants	constant	NOUN
eurjchem-827	196	4	of	of	ADP
eurjchem-827	196	5	the	the	DET
eurjchem-827	196	6	metal‐ligand	metal‐ligand	NOUN
eurjchem-827	196	7	complexes	complex	NOUN
eurjchem-827	196	8	of	of	ADP
eurjchem-827	196	9	mn(ii	mn(ii	PROPN
eurjchem-827	196	10	)	)	PUNCT
eurjchem-827	196	11	,	,	PUNCT
eurjchem-827	196	12	co(ii	co(ii	PROPN
eurjchem-827	196	13	)	)	PUNCT
eurjchem-827	196	14	,	,	PUNCT
eurjchem-827	196	15	ni(ii	ni(ii	PROPN
eurjchem-827	196	16	)	)	PUNCT
eurjchem-827	196	17	and	and	CCONJ
eurjchem-827	196	18	cu(ii	cu(ii	PROPN
eurjchem-827	196	19	)	)	PUNCT
eurjchem-827	196	20	were	be	AUX
eurjchem-827	196	21	also	also	ADV
eurjchem-827	196	22	determined	determine	VERB
eurjchem-827	196	23	by	by	ADP
eurjchem-827	196	24	potentiometric	potentiometric	ADJ
eurjchem-827	196	25	titration	titration	NOUN
eurjchem-827	196	26	for	for	ADP
eurjchem-827	196	27	both	both	DET
eurjchem-827	196	28	species	specie	NOUN
eurjchem-827	196	29	[	[	X
eurjchem-827	196	30	m(hl)]+	m(hl)]+	NOUN
eurjchem-827	197	1	and	and	CCONJ
eurjchem-827	197	2	[	[	X
eurjchem-827	197	3	ml	ml	X
eurjchem-827	197	4	]	]	PUNCT
eurjchem-827	197	5	formed	form	VERB
eurjchem-827	197	6	in	in	ADP
eurjchem-827	197	7	the	the	DET
eurjchem-827	197	8	present	present	ADJ
eurjchem-827	197	9	experimental	experimental	ADJ
eurjchem-827	197	10	conditions	condition	NOUN
eurjchem-827	197	11	.	.	PUNCT
eurjchem-827	198	1	the	the	DET
eurjchem-827	198	2	stability	stability	NOUN
eurjchem-827	198	3	order	order	NOUN
eurjchem-827	198	4	obtained	obtain	VERB
eurjchem-827	198	5	is	be	AUX
eurjchem-827	198	6	in	in	ADP
eurjchem-827	198	7	agreement	agreement	NOUN
eurjchem-827	198	8	with	with	ADP
eurjchem-827	198	9	irving‐williams	irving‐william	NOUN
eurjchem-827	198	10	series	series	NOUN
eurjchem-827	198	11	.	.	PUNCT
eurjchem-827	199	1	dft	dft	PROPN
eurjchem-827	199	2	calculations	calculation	NOUN
eurjchem-827	199	3	undertaken	undertake	VERB
eurjchem-827	199	4	in	in	ADP
eurjchem-827	199	5	the	the	DET
eurjchem-827	199	6	framework	framework	NOUN
eurjchem-827	199	7	of	of	ADP
eurjchem-827	199	8	octahedral	octahedral	ADJ
eurjchem-827	199	9	geometry	geometry	NOUN
eurjchem-827	199	10	for	for	ADP
eurjchem-827	199	11	the	the	DET
eurjchem-827	199	12	complex	complex	NOUN
eurjchem-827	199	13	suggest	suggest	VERB
eurjchem-827	199	14	that	that	SCONJ
eurjchem-827	199	15	the	the	DET
eurjchem-827	199	16	ligand	ligand	NOUN
eurjchem-827	199	17	is	be	AUX
eurjchem-827	199	18	coordinated	coordinate	VERB
eurjchem-827	199	19	to	to	ADP
eurjchem-827	199	20	the	the	DET
eurjchem-827	199	21	metal	metal	NOUN
eurjchem-827	199	22	in	in	ADP
eurjchem-827	199	23	a	a	DET
eurjchem-827	199	24	bidentate	bidentate	ADJ
eurjchem-827	199	25	mode	mode	NOUN
eurjchem-827	199	26	through	through	ADP
eurjchem-827	199	27	sulfur	sulfur	NOUN
eurjchem-827	199	28	and	and	CCONJ
eurjchem-827	199	29	amino	amino	NOUN
eurjchem-827	199	30	nitrogen	nitrogen	NOUN
eurjchem-827	199	31	atoms	atom	NOUN
eurjchem-827	199	32	.	.	PUNCT
eurjchem-827	200	1	references	reference	NOUN
eurjchem-827	200	2	[	[	X
eurjchem-827	200	3	1	1	NUM
eurjchem-827	200	4	]	]	PUNCT
eurjchem-827	200	5	.	.	PUNCT
eurjchem-827	201	1	liu	liu	PROPN
eurjchem-827	201	2	,	,	PUNCT
eurjchem-827	201	3	k.	k.	PROPN
eurjchem-827	201	4	;	;	PUNCT
eurjchem-827	201	5	shi	shi	PROPN
eurjchem-827	201	6	,	,	PUNCT
eurjchem-827	201	7	w.	w.	PROPN
eurjchem-827	201	8	;	;	PUNCT
eurjchem-827	201	9	cheng	cheng	PROPN
eurjchem-827	201	10	,	,	PUNCT
eurjchem-827	201	11	p.	p.	PROPN
eurjchem-827	201	12	dalton	dalton	PROPN
eurjchem-827	201	13	trans	trans	PROPN
eurjchem-827	201	14	.	.	PROPN
eurjchem-827	201	15	2011	2011	NUM
eurjchem-827	201	16	,	,	PUNCT
eurjchem-827	201	17	40(34	40(34	NUM
eurjchem-827	201	18	)	)	PUNCT
eurjchem-827	201	19	,	,	PUNCT
eurjchem-827	201	20	8475‐8490	8475‐8490	NUM
eurjchem-827	201	21	.	.	PUNCT
eurjchem-827	202	1	[	[	X
eurjchem-827	202	2	2	2	NUM
eurjchem-827	202	3	]	]	PUNCT
eurjchem-827	202	4	.	.	PUNCT
eurjchem-827	202	5	labanauskas	labanauskas	PROPN
eurjchem-827	202	6	,	,	PUNCT
eurjchem-827	202	7	l.	l.	PROPN
eurjchem-827	202	8	;	;	PUNCT
eurjchem-827	202	9	udrenaite	udrenaite	PROPN
eurjchem-827	202	10	,	,	PUNCT
eurjchem-827	202	11	e.	e.	PROPN
eurjchem-827	202	12	;	;	PUNCT
eurjchem-827	202	13	gaidelis	gaidelis	PROPN
eurjchem-827	202	14	,	,	PUNCT
eurjchem-827	202	15	p.	p.	NOUN
eurjchem-827	202	16	;	;	PUNCT
eurjchem-827	202	17	brukstus	brukstus	NOUN
eurjchem-827	202	18	,	,	PUNCT
eurjchem-827	202	19	a.	a.	PROPN
eurjchem-827	202	20	ii	ii	PROPN
eurjchem-827	202	21	farmaco	farmaco	PROPN
eurjchem-827	202	22	2004	2004	NUM
eurjchem-827	202	23	,	,	PUNCT
eurjchem-827	202	24	59(4	59(4	NUM
eurjchem-827	202	25	)	)	PUNCT
eurjchem-827	202	26	,	,	PUNCT
eurjchem-827	202	27	255‐259	255‐259	NUM
eurjchem-827	202	28	[	[	X
eurjchem-827	202	29	3	3	NUM
eurjchem-827	202	30	]	]	PUNCT
eurjchem-827	202	31	.	.	PUNCT
eurjchem-827	202	32	isloor	isloor	NOUN
eurjchem-827	202	33	,	,	PUNCT
eurjchem-827	202	34	a.	a.	NOUN
eurjchem-827	202	35	m.	m.	NOUN
eurjchem-827	202	36	;	;	PUNCT
eurjchem-827	202	37	kalluraya	kalluraya	PROPN
eurjchem-827	202	38	,	,	PUNCT
eurjchem-827	202	39	b.	b.	PROPN
eurjchem-827	202	40	;	;	PUNCT
eurjchem-827	202	41	shetty	shetty	PROPN
eurjchem-827	202	42	,	,	PUNCT
eurjchem-827	202	43	p.	p.	PROPN
eurjchem-827	202	44	eur	eur	PROPN
eurjchem-827	202	45	.	.	PUNCT
eurjchem-827	203	1	j.	j.	PROPN
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eurjchem-827	203	3	.	.	PROPN
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eurjchem-827	204	2	,	,	PUNCT
eurjchem-827	204	3	44(9	44(9	NOUN
eurjchem-827	204	4	)	)	PUNCT
eurjchem-827	204	5	,	,	PUNCT
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eurjchem-827	204	7	.	.	PUNCT
eurjchem-827	205	1	[	[	X
eurjchem-827	205	2	4	4	NUM
eurjchem-827	205	3	]	]	PUNCT
eurjchem-827	205	4	.	.	PUNCT
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eurjchem-827	205	6	,	,	PUNCT
eurjchem-827	205	7	n.	n.	PROPN
eurjchem-827	205	8	;	;	PUNCT
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eurjchem-827	205	10	,	,	PUNCT
eurjchem-827	205	11	r.	r.	PROPN
eurjchem-827	205	12	;	;	PUNCT
eurjchem-827	205	13	dureja	dureja	PROPN
eurjchem-827	205	14	,	,	PUNCT
eurjchem-827	205	15	p.	p.	NOUN
eurjchem-827	205	16	;	;	PUNCT
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eurjchem-827	205	18	,	,	PUNCT
eurjchem-827	205	19	j.	j.	PROPN
eurjchem-827	205	20	m.	m.	PROPN
eurjchem-827	205	21	eur	eur	PROPN
eurjchem-827	205	22	.	.	PUNCT
eurjchem-827	206	1	j.	j.	PROPN
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eurjchem-827	206	5	.	.	PUNCT
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eurjchem-827	207	2	,	,	PUNCT
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eurjchem-827	207	4	)	)	PUNCT
eurjchem-827	207	5	,	,	PUNCT
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eurjchem-827	207	7	.	.	PUNCT
eurjchem-827	208	1	[	[	X
eurjchem-827	208	2	5	5	NUM
eurjchem-827	208	3	]	]	PUNCT
eurjchem-827	208	4	.	.	PUNCT
eurjchem-827	209	1	shaker	shaker	PROPN
eurjchem-827	209	2	,	,	PUNCT
eurjchem-827	209	3	r.	r.	PROPN
eurjchem-827	209	4	m.	m.	PROPN
eurjchem-827	209	5	arkivoc	arkivoc	PROPN
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eurjchem-827	209	7	,	,	PUNCT
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eurjchem-827	209	9	,	,	PUNCT
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eurjchem-827	209	11	.	.	PUNCT
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eurjchem-827	210	2	6	6	NUM
eurjchem-827	210	3	]	]	PUNCT
eurjchem-827	210	4	.	.	PUNCT
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eurjchem-827	211	2	,	,	PUNCT
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eurjchem-827	211	5	;	;	PUNCT
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eurjchem-827	211	7	,	,	PUNCT
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eurjchem-827	211	9	;	;	PUNCT
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eurjchem-827	211	14	.	.	PUNCT
eurjchem-827	212	1	chem	chem	PROPN
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eurjchem-827	213	1	res	re	NOUN
eurjchem-827	213	2	.	.	PUNCT
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eurjchem-827	214	2	,	,	PUNCT
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eurjchem-827	214	4	)	)	PUNCT
eurjchem-827	214	5	,	,	PUNCT
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eurjchem-827	214	7	.	.	PUNCT
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eurjchem-827	215	2	7	7	NUM
eurjchem-827	215	3	]	]	PUNCT
eurjchem-827	215	4	.	.	PUNCT
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eurjchem-827	216	2	,	,	PUNCT
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eurjchem-827	216	4	h.	h.	PROPN
eurjchem-827	216	5	;	;	PUNCT
eurjchem-827	216	6	brooker	brooker	PROPN
eurjchem-827	216	7	,	,	PUNCT
eurjchem-827	216	8	s.	s.	PROPN
eurjchem-827	216	9	coord	coord	PROPN
eurjchem-827	216	10	.	.	PUNCT
eurjchem-827	217	1	chem	chem	PROPN
eurjchem-827	217	2	.	.	PUNCT
eurjchem-827	218	1	rev	rev	PROPN
eurjchem-827	218	2	.	.	PROPN
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eurjchem-827	218	4	,	,	PUNCT
eurjchem-827	218	5	241(2	241(2	NUM
eurjchem-827	218	6	)	)	PUNCT
eurjchem-827	218	7	,	,	PUNCT
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eurjchem-827	218	9	.	.	PUNCT
eurjchem-827	219	1	[	[	X
eurjchem-827	219	2	8	8	NUM
eurjchem-827	219	3	]	]	PUNCT
eurjchem-827	219	4	.	.	PUNCT
eurjchem-827	220	1	colanceska‐ragenovic	colanceska‐ragenovic	PROPN
eurjchem-827	220	2	,	,	PUNCT
eurjchem-827	220	3	k.	k.	PROPN
eurjchem-827	220	4	;	;	PUNCT
eurjchem-827	220	5	dimova	dimova	X
eurjchem-827	220	6	,	,	PUNCT
eurjchem-827	220	7	v.	v.	ADP
eurjchem-827	220	8	;	;	PUNCT
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eurjchem-827	220	10	,	,	PUNCT
eurjchem-827	220	11	v.	v.	ADV
eurjchem-827	220	12	;	;	PUNCT
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eurjchem-827	220	14	,	,	PUNCT
eurjchem-827	220	15	d.	d.	PROPN
eurjchem-827	220	16	;	;	PUNCT
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eurjchem-827	220	21	,	,	PUNCT
eurjchem-827	220	22	6(10	6(10	NUM
eurjchem-827	220	23	)	)	PUNCT
eurjchem-827	220	24	,	,	PUNCT
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eurjchem-827	220	26	.	.	PUNCT
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eurjchem-827	221	2	9	9	NUM
eurjchem-827	221	3	]	]	PUNCT
eurjchem-827	221	4	.	.	PUNCT
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eurjchem-827	222	2	,	,	PUNCT
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eurjchem-827	222	4	;	;	PUNCT
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eurjchem-827	222	6	,	,	PUNCT
eurjchem-827	222	7	n.	n.	NOUN
eurjchem-827	222	8	;	;	PUNCT
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eurjchem-827	222	10	,	,	PUNCT
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eurjchem-827	222	12	;	;	PUNCT
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eurjchem-827	222	14	,	,	PUNCT
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eurjchem-827	222	16	;	;	PUNCT
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eurjchem-827	222	22	.	.	PUNCT
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eurjchem-827	223	3	,	,	PUNCT
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eurjchem-827	223	5	,	,	PUNCT
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eurjchem-827	223	7	.	.	PUNCT
eurjchem-827	224	1	[	[	X
eurjchem-827	224	2	10	10	NUM
eurjchem-827	224	3	]	]	PUNCT
eurjchem-827	224	4	.	.	PUNCT
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eurjchem-827	225	2	,	,	PUNCT
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eurjchem-827	225	4	;	;	PUNCT
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eurjchem-827	225	6	,	,	PUNCT
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eurjchem-827	225	19	,	,	PUNCT
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eurjchem-827	225	25	p.	p.	PROPN
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eurjchem-827	225	28	.	.	PUNCT
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eurjchem-827	226	2	.	.	PUNCT
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eurjchem-827	227	2	,	,	PUNCT
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eurjchem-827	227	4	)	)	PUNCT
eurjchem-827	227	5	,	,	PUNCT
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eurjchem-827	228	3	]	]	PUNCT
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eurjchem-827	228	6	,	,	PUNCT
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eurjchem-827	228	31	.	.	PUNCT
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eurjchem-827	229	3	.	.	PUNCT
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eurjchem-827	230	2	,	,	PUNCT
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eurjchem-827	230	4	)	)	PUNCT
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eurjchem-827	230	7	.	.	PUNCT
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eurjchem-827	231	3	]	]	PUNCT
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eurjchem-827	232	2	,	,	PUNCT
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eurjchem-827	232	11	.	.	PUNCT
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eurjchem-827	233	2	.	.	PUNCT
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eurjchem-827	234	2	.	.	PUNCT
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eurjchem-827	235	2	,	,	PUNCT
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eurjchem-827	235	4	)	)	PUNCT
eurjchem-827	235	5	,	,	PUNCT
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eurjchem-827	235	7	200	200	NUM
eurjchem-827	235	8	.	.	PUNCT
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eurjchem-827	236	3	]	]	SYM
eurjchem-827	236	4	.	.	PUNCT
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eurjchem-827	236	6	,	,	PUNCT
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eurjchem-827	236	8	;	;	PUNCT
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eurjchem-827	236	10	,	,	PUNCT
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eurjchem-827	236	13	;	;	PUNCT
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eurjchem-827	236	15	,	,	PUNCT
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eurjchem-827	236	20	,	,	PUNCT
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eurjchem-827	236	23	.	.	PUNCT
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eurjchem-827	237	2	.	.	PUNCT
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eurjchem-827	238	2	,	,	PUNCT
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eurjchem-827	238	4	)	)	PUNCT
eurjchem-827	238	5	,	,	PUNCT
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eurjchem-827	238	7	.	.	PUNCT
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eurjchem-827	239	3	]	]	PUNCT
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eurjchem-827	239	6	,	,	PUNCT
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eurjchem-827	239	8	;	;	PUNCT
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eurjchem-827	240	2	,	,	PUNCT
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eurjchem-827	241	4	.	.	PUNCT
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eurjchem-827	242	2	,	,	PUNCT
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eurjchem-827	242	5	;	;	PUNCT
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eurjchem-827	242	20	.	.	PROPN
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eurjchem-827	244	7	.	.	PUNCT
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eurjchem-827	245	2	.	.	PUNCT
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eurjchem-827	246	2	,	,	PUNCT
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eurjchem-827	246	7	.	.	PUNCT
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eurjchem-827	254	2	,	,	PUNCT
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