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Solvent reorganization in optical and thermal electron-transfer processes

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Brunschwig, Bruce S., Ehrenson, Stanton, Sutin, Norman·1986·The Journal of Physical Chemistry

Abstract

Dielectric continuum models used to calculate the solvent reorganization energy in thermal and photochemical electron-transfer reactions are discussed.Expressions are derived for the reorganization energy for charge redistribution within a single ellipsoidal or spherical solvent cavity.The expressions for the ellipsoidal cavity model differ in important respects from those derived previously.The Marcus two-sphere and the ellipsoidal cavity models can satisfactorily predict the band maximum for the metal-to-metal charge-transfer transition in a number of ion-paired and bridged binuclear systems, provided careful consideration is given to the cavity dimensions.In complexes containing 2,2'-bipyridine ligands the solvent can approach close to the charge centers by filling the space between the ligands: this results in a smaller effective radius and relatively large values for the Series 58; D.

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Metadata

Authors
Brunschwig, B. S., Ehrenson, S., & Sutin, N.
Venue
The Journal of Physical Chemistry
Published
1986-07
Volume
90
Issue
16
Pages
3657-3668
ISSN
  • 0022-3654 (ISSN-L)
  • 1541-5740
OpenAlex
W2052767617
Cited by
229
References
0
FWCI
4.91
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Solvent reorganization in optical and thermal electron-transfer processes. https://app.cochat.ai/papers/10.1021/j100407a037
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Brunschwig, B. S., Ehrenson, S., & Sutin, N. (1986). Solvent reorganization in optical and thermal electron-transfer processes. The Journal of Physical Chemistry. https://doi.org/10.1021/j100407a037

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