A model for orientation effects in electron-transfer reactions | Zendy

Paul Siders | Zendy; Robert J. Cave | Zendy; R. A. Marcus | Zendy

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A model for orientation effects in electron-transfer reactions

Author(s) -

Paul Siders,

Robert J. Cave,

R. A. Marcus

Publication year - 1984

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.447665

Subject(s) - wave function , orientation (vector space) , oblate spheroid , matrix (chemical analysis) , physics , transfer matrix , space (punctuation) , electron , geometry , mathematical analysis , mathematics , classical mechanics , chemistry , quantum mechanics , computer science , chromatography , computer vision , operating system

A method for solving the single‐particle Schrodinger equation with an oblate spheroidal potential of finite depth is presented. The wave functions are then used to calculate the matrix element T_BA 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 T_BA for states of spherical wells are presented and used to analyze the nodal structure effects for T_BA for the spheroidal wells.

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