Ellipticity:: A convenient tool to characterize electrocyclic reactions

被引：75

作者：

López, CS

Faza, AN

Cossío, FP

York, DM

de Lera, AR ^{[1
]}

机构：

[1] Univ Vigo, Dept Quim Organ, Vigo 36200, Galicia, Spain

[2] Euskal Herriko Unibertsitatea, Kimika Fak, San Sebastian 28080, Donostia, Spain

[3] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2005年 / 11卷 / 06期

关键词：

atoms in molecules theory; electrocyclic reactions; electron density; ellipticity; pseudopericyclic reactions;

D O I：

10.1002/chem.200401026

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The ellipticity of the electron density is proposed as a convenient tool to characterize electrocyclic reactions. The study of the electron density offers several advantages since it is an experimental observable. This simple topological index has proven powerful and robust for the characterization of a wide variety of electrocyclic and pseudoelectrocyclic processes. This property is sensitive to changes in the anisotropy of the electron density in the bond-forming region and provides an insightful description of the events occurring along the reaction coordinate.

引用

页码：1734 / 1738

页数：5

共 35 条

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