QUANTUM-CHEMICAL MODELING OF CHIRAL CATALYSIS .16. ON THE ISOMERISM OF DIMERS OF CHIRAL OXAZABOROLIDINES USED IN THE CATALYTIC ENANTIOSELECTIVE REDUCTION OF KETONES

被引：5

作者：

NEVALAINEN, V

机构：

[1] Division of Organic Chemistry, University of Helsinki, SF-00014

来源：

TETRAHEDRON-ASYMMETRY | 1994年 / 5卷 / 03期

关键词：

D O I：

10.1016/S0957-4166(00)86210-2

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Relative stabilities of several dimeric isomers of oxazaborolidines were studied by means of ab initio MO (RHF) methods (1,3,2-oxazaborolidine 1' used as a model of oxazaborolidines). The most stable of the isomers found was 24 kJ mol-1 (6-31G//6-31G) lower in energy than two separate monomeric oxazaborolidine (1') molecules. Formation of several other dimeric isomers was found to be energetically advantageous.

引用

页码：387 / 394

页数：8

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