Potential-barrier profile for an adiabatic electron transfer reaction in a condon approximation with allowance for nonsphericity of electron wavefunctions

被引：0

作者：

Sokolov, VV ^{[1
]}

Kuznetsov, AM ^{[1
]}

机构：

[1] Russian Acad Sci, AN Frumkin Electrochem Inst, Moscow 119071, Russia

来源：

RUSSIAN JOURNAL OF ELECTROCHEMISTRY | 2002年 / 38卷 / 12期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1023/A:1021624906838

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

The free-energy surface profile for an adiabatic electron transfer reaction in a polar solvent is calculated. The calculation allows for the dependence of electron wavefunctions of reactants on the environment polarization and for nonsphericity of electron wavefunctions. Allowance for the nonsphericity reduces significantly the activation barrier and increases the reaction rate.

引用

页码：1334 / 1338

页数：5

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