An investigation of superexchange in dinuclear mixed-valence ruthenium complexes

被引：156

作者：

Evans, CEB

Naklicki, ML

Rezvani, AR

White, CA

Kondratiev, VV

Crutchley, RJ

机构：

[1] Carleton Univ, Ottawa Carleton Chem Inst, Ottawa, ON K1S 5B6, Canada

[2] St Petersburg State Univ, St Petersburg, Russia

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 120卷 / 50期

关键词：

D O I：

10.1021/ja982673b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A quantitative study of hole-transfer superexchange in Class II mixed-valence complexes is presented. The free energy of resonance exchange was calculated from metal-metal. coupling elements derived from Hush and CNS models and compared to experimental values that were factored from the free energy of comproportionation. The Hush model gave acceptable results for only the most weakly coupled systems while the CNS model gave reasonable predictions throughout the range of coupling studied (valence trapped to nearly delocalized behavior).

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页码：13096 / 13103

页数：8

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