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Analytical approach to molecular liquids. IV. Solvation dynamics and electron-transfer reactions (1989)

Zhou, Yaoqi ; Friedman, Harold L. ; Stell, George

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 91 (1989), S. 4885-4890

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The solvation dynamics of a pair of ions rigidly held a fixed distance from each other in either a dipolar hard-sphere solvent or a dipolar dumbbell solvent is investigated under the mean spherical approximation (MSA) applied to an interaction-site model in which the pair of ions is treated as a rigid extended dipolar dumbbell. An analytical expression for the reorganization free energy for a charge transfer reaction is obtained and compared with numerical results obtained via a thermodynamic cycle. Solvent effects on the rate of a charge transfer reaction are also investigated using the dielectric Green-function theory developed by Newton and Friedman.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.456727

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