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Potential-Barrier Profile for an Adiabatic Electron Transfer Reaction in a Condon Approximation with Allowance for Nonsphericity of Electron Wavefunctions

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Abstract

The free-energy surface profile for an adiabatic electron transfer reaction in a polar solvent is calculated. The calculation allows for the dependence of electron wavefunctions of reactants on the environment polarization and for nonsphericity of electron wavefunctions. Allowance for the nonsphericity reduces significantly the activation barrier and increases the reaction rate.

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Authors and Affiliations

  1. Russian Academy of Sciences, Frumkin Institute of Electrochemistry, Leninskii pr. 31, Moscow, 119071, Russia

    V. V. Sokolov & A. M. Kuznetsov

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  1. V. V. Sokolov
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  2. A. M. Kuznetsov
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Sokolov, V.V., Kuznetsov, A.M. Potential-Barrier Profile for an Adiabatic Electron Transfer Reaction in a Condon Approximation with Allowance for Nonsphericity of Electron Wavefunctions. Russian Journal of Electrochemistry 38, 1334–1338 (2002). https://doi.org/10.1023/A:1021624906838

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