A Semiclassical Model for Orientation Effects in Electron Transfer Reactions

Authors

Robert J. Cave, Harvey Mudd CollegeFollow
Stephen J. Klippenstein, California Institute of Technology
R.A. Marcus, California Institute of Technology

Document Type

Article

Department

Chemistry (HMC)

Publication Date

3-15-1986

Abstract

An approximate solution to the single‐particle Schrödinger equation with an oblate spheroidal potential well of finite depth is presented. The electronic matrix element H_BA for thermal electron transfer is calculated using these wave functions, and is compared with values of H_BA obtained using the exact solution of the same Schrödinger equation. The present method yields accurate results for H_BA, within the oblate spheroidal potential well model, and is useful for examining the orientational effects of the two centers on the rate of electron transfer.

Rights Information

© 1986 American Institute of Physics

DOI

10.1063/1.450290

Recommended Citation

A Semiclassical Model for Orientation Effects in Electron Transfer Reactions. Robert J. Cave, Stephen J. Klippenstein, and R. A. Marcus, J. Chem. Phys. 84, 3089 (1986), DOI:10.1063/1.450290.