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

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 178卷 / 2-3期

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.

引用

页码：235 / 240

页数：6

共 29 条

[1] EXOTHERMIC RATE RESTRICTIONS ON ELECTRON-TRANSFER IN A RIGID MEDIUM
BEITZ, JV
MILLER, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) : 4579 - 4595
[2] CLASSICAL SOLVENT DYNAMICS AND ELECTRON-TRANSFER .2. MOLECULAR ASPECTS
CALEF, DF
WOLYNES, PG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (01) : 470 - 482
[3] CLASSICAL SOLVENT DYNAMICS AND ELECTRON-TRANSFER .1. CONTINUUM THEORY
CALEF, DF
WOLYNES, PG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (18) : 3387 - 3400
[4] SOLUTE-DEPENDENT SOLVENT FORCE-CONSTANTS FOR ION-PAIRS AND NEUTRAL PAIRS IN A POLAR-SOLVENT
CARTER, EA
HYNES, JT
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (06) : 2184 - 2187
[5] MODEL OF SOLVENT STRUCTURE AROUND IONS
CHAN, DYC
MITCHELL, DJ
NINHAM, BW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) : 2946 - 2957
[6] INTRAMOLECULAR LONG-DISTANCE ELECTRON-TRANSFER IN ORGANIC-MOLECULES
CLOSS, GL
MILLER, JR
[J]. SCIENCE, 1988, 240 (4851) : 440 - 447
[7] THEORETICAL-STUDY OF DIELECTRIC SATURATION IN MOLECULAR SOLUTIONS BY THE MONTE-CARLO SIMULATION
HATANO, Y
KAKITANI, T
YOSHIMORI, A
SAITO, M
MATAGA, N
[J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1990, 59 (03) : 1104 - 1116
[8] PHOTOINDUCED ELECTRON-TRANSFER IN POLAR SOLUTIONS .1. NEW ASPECTS OF THE ROLE OF THE SOLVENT MODE IN ELECTRON-TRANSFER PROCESSES IN CHARGE-SEPARATION REACTIONS
KAKITANI, T
MATAGA, N
[J]. CHEMICAL PHYSICS, 1985, 93 (03) : 381 - 397
[9] NEW ENERGY-GAP LAWS FOR THE CHARGE SEPARATION PROCESS IN THE FLUORESCENCE QUENCHING REACTION AND THE CHARGE RECOMBINATION PROCESS OF ION-PAIRS PRODUCED IN POLAR-SOLVENTS
KAKITANI, T
MATAGA, N
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (01) : 8 - 10
[10] COMPREHENSIVE STUDY ON THE ROLE OF COORDINATED SOLVENT MODE PLAYED IN ELECTRON-TRANSFER REACTIONS IN POLAR SOLUTIONS
KAKITANI, T
MATAGA, N
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) : 6277 - 6285

← 1 2 3 →