Abstract
A continuum theory is developed for describing the influence of polarizable, nondipolar, quadrupolar solvents on charge-transfer processes. The fluctuating configuration of solvent quadrupole moments and associated nonequilibrium free energy are described in terms of multidimensional solvent coordinates. The solvent reorganization free energy is obtained in the framework of both one- and two-sphere cavity descriptions of the reaction systems. As an application, electron transfer for bridged donor−acceptor systems in benzene is considered. It is found that the continuum theory predictions for outer-sphere reorganization free energy are in good accord with both experimental estimates and molecular-level theory results.
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