Solvent effects on intervalence electron-transfer energies for biferrocene cations: comparisons with molecular models of solvent reorganization
β Scribed by McManis, George E.; Gochev, Alexander; Nielson, Roger M.; Weaver, Michael J.
- Book ID
- 121231139
- Publisher
- American Chemical Society
- Year
- 1989
- Tongue
- English
- Weight
- 1018 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0022-3654
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## Abstract In this work the authors present some evidences of defects in the popular continuous medium theories for nonequilibrium solvation. Particular attention has been paid to the incorrect reversible work approach. After convincing reasoning, the nonequilibrium free energy has been formulated
A new microscopic model for the quantitative interpretation of solvent effects on molecular eiectrooic spectxa is proposed. The interaction ener& is caicuIated between the solute molecule and a camplet. shell of surrounding solvent nolecutes. The equilibrium configuration is obtained by a procedur