Potential-Barrier Profile for the Adiabatic Electron Transfer Reaction in the Condon Approximation |
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Authors: | Sokolov V V Kuznetsov A M |
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Institution: | (1) Frumkin Institute of Electrochemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 117071, Russia |
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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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