ESTIMATION OF THE SOLVENT DEPENDENCE OF THE ELECTRON-TRANSFER ELECTRONIC COUPLING IN THE TRANS-STILBENE FUMARONITRILE CONTACT RADICAL-ION PAIR

被引：20

作者：

LI, BL ^{[1
]}

PETERS, KS ^{[1
]}

机构：

[1] UNIV COLORADO,DEPT CHEM & BIOCHEM,BOULDER,CO 80309

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 50期

关键词：

D O I：

10.1021/j100152a018

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The dynamics for back electron transfer within the trans-stilbene/fumaronitrile contact radical ion pair have been analyzed within a theoretical model for electron transfer developed by Jortner and Bixon (J. Chem. Phys. 1988, 88, 167) in order to derive the solvent dependence of the electronic coupling matrix element for a series of nitrile solvents. The solvent reorganization energy is calculated from a dielectric ellipsoidal cavity model. The electronic coupling increases from 620 +/- 60 cm-1 in acetonitrile to 750 +/- 60 cm-1 for pentanenitrile.

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页码：13145 / 13148

页数：4

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