SYMMETRY-BREAKING IN CYCLODEXTRINS - A MOLECULAR MECHANICS INVESTIGATION

被引：106
作者：
LIPKOWITZ, KB
机构：
[1] Department of Chemistry, Indiana-Purdue University, Indianapolis, Indiana 46205
来源：
JOURNAL OF ORGANIC CHEMISTRY | 1991年 / 56卷 / 22期
关键词：
D O I：
10.1021/jo00022a027
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
An analysis of the inherent features of cyclodextrins, void of water and crystal-lattice effects, has been undertaken with empirical force fields. It is found that these systems are not rigid and that symmetry breaking lowers the energies of these macrocycles. The highly symmetric structures portrayed in the literature are time-averaged views only.
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页码：6357 / 6367
页数：11
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