The DOI matches its Crossref record; 58 of the 58 references it cites were found in a registry or an index.
Dielectric friction and the transition from adiabatic to nonadiabatic electron transfer. I. Solvation dynamics in Liouville space
Abstract
A microscopic theory for electron transfer rates in a polar medium, which interpolates continuously from the adiabatic to the nonadiabatic limits, is developed. Both static (polarity) interactions, which affect the reaction energetics and dynamic (friction) effects, are incorporated using a macroscopic solvation coordinate, whose dynamics and statistical properties are related to the entire frequency and wave vector dependent dielectric function of the solvent ε(k,ω). The present approach is based on using an expansion of the density matrix in Liouville space and utilizing the analogy with the calculation of nonlinear optical line shapes. A new criterion for adiabaticity is derived, and the role of the solvent longitudinal dielectric relaxation in inducing the crossover from the nonadiabatic to the adiabatic regimes is clarified. The applicability of a Landau–Zener-type resumation for the rate is critically analyzed. The origin of the fractional power dependence of the rate on the solvent time scale, observed in several electron transfer and isomerization reactions, is discussed.
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Cites
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Cited by
Computer simulation of the dynamics of aqueous solvation
Maroncelli, M., & Fleming, G. R. (1988) · The Journal of Chemical Physics · doi:10.1063/1.455649 · Cited by 494
Ultrafast excitation energy transfer dynamics in photosynthetic pigment–protein complexes
Renger, T., May, V., & Kühn, O. (2001) · Physics Reports · doi:10.1016/s0370-1573(00)00078-8 · Cited by 413
Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer
Warburton, R. E., Soudackov, A. V., & Hammes-Schiffer, S. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00929 · Cited by 322
Application of a multilevel Redfield theory to electron transfer in condensed phases
Jean, J. M., Friesner, R. A., & Fleming, G. R. (1992) · The Journal of Chemical Physics · doi:10.1063/1.462858 · Cited by 291
Thoss, M., Wang, H., & Miller, W. H. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1385562 · Cited by 260
Metadata
- Authors
- Sparpaglione, M., & Mukamel, S.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1988-03-01
- Volume
- 88
- Issue
- 5
- Pages
- 3263-3280
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2086864852
- Cited by
- 278
- References
- 58
- FWCI
- 13.98
- Type
- journal article
- Language
- en
- Open access
- closed
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- Sparpaglione, M., & Mukamel, S. (1988). Dielectric friction and the transition from adiabatic to nonadiabatic electron transfer. I. Solvation dynamics in Liouville space. The Journal of Chemical Physics. https://doi.org/10.1063/1.453922
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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