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Potential-Barrier Profile for the Adiabatic Electron Transfer Reaction in the Condon Approximation

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Abstract

An effective reaction coordinate is introduced and a self-consistent algorithm is proposed for the calculation of the potential barrier profile of the adiabatic electron transfer reaction in a polar solvent, taking into account electron wave functions of reagents with respect to the media polarization. A change in the functions when moving along the reaction coordinate reduces significantly the activation barrier and increases the reaction rate.

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Authors and Affiliations

  1. Frumkin Institute of Electrochemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 117071, 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 the Adiabatic Electron Transfer Reaction in the Condon Approximation. Russian Journal of Electrochemistry 37, 187–192 (2001). https://doi.org/10.1023/A:1009088026361

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