id	author	title	date	pages	extension	mime	words	sentence	flesch	summary	cache	txt
eurjchem-582	El-Shaaer, Hafez Mohamed; Ibrahim, Salah Sayed; Abd-Elmonem, Wafaa Ramzy; Ibrahim, Christine Gamal	An efficient cyclocondensation reactions, antimicrobial activity and molecular orbital calculations of α-benzopyrone derivatives	2012	7	.pdf	application/pdf	4152	219	63	M.p.: >300 °C. Yield: 73%. FT‐IR (KBr, cm‐1): 3359, 3096 (br., NH, NH2), 2970, 2919 (CHaleph.), 1728 (C=Ocoumarin), 1626 (exocyclic C=N), 1605 (C=C). [by Ab Initio (STO‐3G)] Experimental C=O values, cm‐1 2 1.22839 1.22747 1721 3a 1.22773a 1.22604a 1721 3b 1.24427b 1.23136b 1655 4a 1.23752a 1.22672a 1623 4b 1.24197b 1.22866b 1623 5b 1.22443a 1.22461a 1725 5b 1.2416b 1.22477b 1666 6 1.24879a 1.21852a 1660 6 1.22183c 1.21744c 1742 7 1.24793a 1.21722a 1661 7 1.22641d 1.22441d 1723 8 1.23984 1.2181 1676 9 1.22692 1.22684 1702 10 1.22807a 1.22699a 1731 10 1.24126e 1.21657e 1669 11 1.22723 1.22662 1728 12 1.22718a 1.21812a 1732 12 1.24092e 1.22168e 1667 a COcoumarin b C=Ocyclic ketone c C=Oacid d C=Oaldehyde e C=Oamide The calculated bond lengths of C=O groups (Å) on the basis of semi‐empirical AM1 method are linearly related to the measured IR νC=O groups (cm‐1) for compounds (2‐12) and from the linear relation bond length (C=O) = 1.699‐2.743 νC=O, r = 0.913 except 4a, 4b (br. band of νC=O), where r is regression coefficient.	cache/eurjchem-582.pdf	txt/eurjchem-582.txt