Hydrogen bonding between phenols and fatty acid esters:: 1H NMR study and ab initio calculations

被引：23

作者：

Litwinienko, G ^{[1
]}

Megiel, E ^{[1
]}

Wojnicz, M ^{[1
]}

机构：

[1] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

来源：

ORGANIC LETTERS | 2002年 / 4卷 / 14期

关键词：

D O I：

10.1021/ol0261837

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

H-1 NMR measurements and A initio calculations were used to study the interactions between hindered/nonhindered phenols and carboxylic acid esters. The dihedral angle (phi) between the OH group and a plane of the aromatic ring is close to 01 in the hydrogen-bonded nonhindered phenols, whereas for 2,6-di-tert-butyl-4-methyl phenol the OH group is completely twisted out of the aromatic plane (phi approximate to 90degrees).

引用

页码：2425 / 2428

页数：4

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