Papers

Peer-reviewed
Nov, 1991

MONTE-CARLO SIMULATION STUDY ON ENERGY-GAP DEPENDENCE OF ELECTRON-TRANSFER REACTIONS IN POLAR SOLUTION - EFFECT OF ELECTRONIC POLARIZABILITY OF SOLVENT

CHEMICAL PHYSICS LETTERS
  • Y ENOMOTO
  • ,
  • T KAKITANI
  • ,
  • A YOSHIMORI
  • ,
  • Y HATANO

Volume
186
Number
4-5
First page
366
Last page
371
Language
English
Publishing type
Research paper (scientific journal)
Publisher
ELSEVIER SCIENCE BV

We conducted Monte Carlo simulations of polar solutions by explicitly treating the effect of electronic polarizability of solvent molecules. Based on these data, we calculated the energy-gap dependence of electron-transfer rates. It was found that a considerable asymmetry of the energy-gap dependence of the charge-separation rate is brought about by the electronic polarizability. It was also found that the inverted region of the charge-recombination reaction shifts considerably to the smaller energy gap from that of the charge-separation reaction, due to the non-linearity of solvent polarization.

Link information
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:A1991GR25600008&DestApp=WOS_CPL
ID information
  • ISSN : 0009-2614
  • Web of Science ID : WOS:A1991GR25600008

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