A model for orientation effects in electron-transfer reactions

Paul Siders, Robert J. Cave, R. A. Marcus

Research output: Contribution to journalArticlepeer-review

106 Scopus citations

Abstract

A method for solving the single-particle Schrödinger equation with an oblate spheroidal potential of finite depth is presented. The wave functions are then used to calculate the matrix element TBA which appears in theories of nonadiabatic electron transfer. The results illustrate the effects of mutual orientation and separation of the two centers on TBA. Trends in these results are discussed in terms of geometrical and nodal structure effects. Analytical expressions related to TBA for states of spherical wells are presented and used to analyze the nodal structure effects for TBA for the spheroidal wells.

Original languageEnglish (US)
Pages (from-to)5613-5624
Number of pages12
JournalThe Journal of chemical physics
Volume81
Issue number12
DOIs
StatePublished - 1984

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