Enantiomeric excesses and electronic chirality measure

被引：28

作者：

Bellarosa, L ^{[1
]}

Zerbetto, F ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 07期

关键词：

D O I：

10.1021/ja028646+

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present an approach to measure the amount of chirality in the electronic wave function and apply it to the study of a set of asymmetric aminohydroxylation reactions. The correlation coefficient between the chirality measure and the enantiomeric excesses is larger than 0.9 and suggests that this phenomenological approach can be a valuable tool to investigate and, perhaps in the future, design asymmetric synthesis.

引用

页码：1975 / 1979

页数：5

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