Conformational properties of o-alkoxy-benzamides in different solvents
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- 作者：Cignitti ; Maurizio ; Ramusino ; Marina Cotta ; Farina ; Anna ; Rajevic ; Maja
- 关键词：Ab initio calculation ; Conformational isomerism ; Electronic spectroscopy ; o-alkoxy benzamide ; NMR spectroscopy
- 刊名：Journal of Molecular Structure
- 出版年：1996
- 出版时间：October 20, 1996
- 年：1996
- 卷：384
- 期：1
- 页码：9-16
- 全文大小：314 K
文摘
Electronic absorption/emission, 1H NMR spectroscopy and quantum mechanical calculations have been used to characterize the ground-state conformation of o-methoxy-and o-hexyloxy-benzamides in different solvents. Experimental evidence supports the assumption that a conformation having an intramolecular H-bond between one amide hydrogen and the o-alkoxy oxygen is significantly populated even in aqueous solutions.