MONTE-CARLO SIMULATION STUDY ON REORGANIZATION ENERGY OF ELECTRON-TRANSFER REACTIONS IN POLAR SOLUTION

被引:21
作者
ENOMOTO, Y
KAKITANI, T
YOSHIMORI, A
HATANO, Y
SAITO, M
机构
[1] NAGOYA UNIV, FAC SCI, DEPT PHYS, FURO CHO, NAGOYA 46401, JAPAN
[2] CHUKYO UNIV, FAC LIBERAL ARTS, SYOWA KU, NAGOYA 466, JAPAN
[3] PROT ENGN RES INST, SUITA, OSAKA 565, JAPAN
关键词
D O I
10.1016/0009-2614(91)87062-G
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 reorganization energy of electron-transfer reactions as a function of the distance between donor and acceptor molecules is calculated by Monte Carlo simulation. It is found that the reorganization energy of charge-separation reactions is appreciably different from that of charge-recombination reactions. The average of these values agrees very well with the value obtained by a mean-spherical-approximation theory.
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页码:235 / 240
页数:6
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