CONFORMATIONAL STUDIES BY DYNAMIC NMR .44. ETHYL-GROUP ROTATIONAL BARRIERS IN HINDERED TRIALKYLAMINES - A DYNAMIC NMR AND MOLECULAR MECHANICS INVESTIGATION

被引：9

作者：

ANDERSON, JE ^{[1
]}

CASARINI, D ^{[1
]}

LUNAZZI, L ^{[1
]}

机构：

[1] A MANGINI UNIV BOLOGNA,DIPARTIMENTO CHIM ORGAN,I-40136 BOLOGNA,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1991年 / 09期

关键词：

D O I：

10.1039/p29910001431

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The sterodynamics of N-ethyl-N-tert-butylneopentylamine 2 and three similar compounds 3-5, are reported and discussed. Dynamic NMR spectroscopy yields experimental barriers to nitrogen inversion-rotation, N-tert-alkyl bond rotation and N-ethyl bond rotation for 2 of 8.1, 7.3 and 6.0 kcal mol-1, respectively, and shows that two different conformations about the latter bond are populated in the ratio 9:1. Molecular mechanics calculations fit well with these observations indicating which these conformations are and yielding a calculated ethyl group rotation barrier in good accord with experiment. Comparable results are obtained for the other three compounds.

引用

页码：1431 / 1435

页数：5

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