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Article
Reorganization Energy of Electron Transfer Processes in Ionic Fluids: A Molecular Debye-Hückel Approach
Journal of Chemical Physics
  • Tiejun Xiao, Iowa State University
  • Xueyu Song, Iowa State University
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
1-1-2013
DOI
10.1063/1.4794790
Abstract

The reorganization energy of electron transfer processes in ionic fluids is studied under the linear response approximation using a molecule Debye-Hückel theory. Reorganization energies of some model reactants of electron transfer reactions in molten salts are obtained from molecular simulations and a molecule Debye-Hückel approach. Good agreements between simulation results and the results from our theoretical calculations using the same model Hamiltonian are found. Applications of our theory to electron transfer reactions in room temperature ionic liquids further demonstrate that our theoretical approach presents a reliable and accurate methodology for the estimation of reorganization energies of electron transfer reactions in ionic fluids.

Comments

The following article appeared in Journal of Chemical Physics 138 (2013): 114105, and may be found at doi:10.1063/1.4794790.

Rights
Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Copyright Owner
American Institute of Physics
Language
en
File Format
application/pdf
Citation Information
Tiejun Xiao and Xueyu Song. "Reorganization Energy of Electron Transfer Processes in Ionic Fluids: A Molecular Debye-Hückel Approach" Journal of Chemical Physics Vol. 138 (2013) p. 1 - 12
Available at: http://works.bepress.com/xueyu-song/35/