MOLECULAR MODELING OF INTRAMOLECULAR HYDROGEN-BONDING IN SIMPLE OLIGOAMIDES .1. INVACUO

被引：12

作者：

SMITH, DA

VIJAYAKUMAR, S

机构：

[1] Department of Chemistry, The University of Toledo, Toledo

来源：

TETRAHEDRON LETTERS | 1991年 / 32卷 / 30期

关键词：

D O I：

10.1016/S0040-4039(00)79788-7

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Molecular modeling studies of amides 1-4 suggest that, in vacuo, maximization of intramolecular hydrogen bonding in 1 is enthalpically preferred. Entropic considerations are not sufficient to overcome this preference. While 4 does prefer hydrogen bonded conformations, it is not a good model for 1. These results are in disagreement with the interpretation of recent experimental data. Possible reasons for this disagreement are discussed.

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页码：3613 / 3616

页数：4

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