Cyclodextrin inclusion complexes. Molecular mechanics calculations on the modification of pi-face selectivity

被引：25

作者：

Entrena, A

Jaime, C

机构：

[1] UNIV AUTONOMA BARCELONA,FAC CIENCIES,DEPT QUIM,BELLATERRA,BARCELONA,SPAIN

[2] UNIV GRANADA,FAC FARM,DEPT QUIM ORGAN,E-18071 GRANADA,SPAIN

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1997年 / 62卷 / 17期

关键词：

D O I：

10.1021/jo9614396

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A theoretical model (considering bimodal inclusions) for the complexation of beta-cyclodextrin and several 5-substituted 2-adamantanones is discussed. The change in the pi-facial selectivity observed in their photochemical reactions with fumaronitrile was properly reproduced by either the original or the MacroModel version of MM3 force field.

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页码：5923 / 5927

页数：5

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