Semiclassical Model for Orientation Effects in Electron Transfer Reactions

摘要

An approximate solution to the single particle Schrodinger equation with an oblate spheroidal potential well of finite depth is presented. The electronic matrix element H sub BA for thermal electron transfer is calculated using these wave functions, and is compared with values of H sub BA obtained using the exact solution of the same Schrodinger equation. The present method yields accurate results for H sub BA, within the oblate sheroidal potential well model, and is useful for examining the orientational effects of the two centers on the rate of electron transfer. Keywords: Reprints; Electron transfer; orientation effects; Semiclassical.