Analytical approach to molecular liquids. IV. Solvation dynamics and electron‐transfer reactions
作者： Yaoqi Zhou , Harold L. Friedman , George Stell
DOI: 10.1063/1.456727
关键词: Solvation shell 、 Ion 、 Electron transfer 、 Solvation 、 Solvent effects 、 Thermodynamics 、 Physical chemistry 、 Dielectric 、 Chemistry 、 Implicit solvation 、 Dumbbell
摘要: The solvation dynamics of a pair ions rigidly held fixed distance from each other in either dipolar hard‐sphere solvent or dumbbell is investigated under the mean spherical approximation (MSA) applied to an interaction‐site model which treated as rigid extended dumbbell. An analytical expression for reorganization free energy charge transfer reaction obtained and compared with numerical results via thermodynamic cycle. Solvent effects on rate are also using dielectric Green‐function theory developed by Newton Friedman.
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