Reorganization energy of electron transfer processes in ionic fluids: A molecular Debye-Hückel approach

Reorganization energy of electron transfer processes in ionic fluids: a molecular Debye-Hückel approach.

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 fro...

Reorganization Energy of Electron Transfer Processes in Ionic Fluids: A Molecular Debye-HÃ1⁄4ckel Approach

A molecular Debye-Hückel approach to the reorganization energy of electron transfer reactions in an electric cell.

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory i...

Solvation dynamics in ionic fluids: an extended Debye-Hückel dielectric continuum model.

Motivated by our recent proposition on the possibility of using dielectric continuum models to interpret experimental measurements of solvation dynamics in room temperature ionic liquids [J. Phys. Chem. A 110, 8623 (2006)], some detailed simulation studies are performed to test the validity of our proposition. From these simulation studies, it seems to be justified that an extended Debye-Hückel...

Solvent reorganization energy of electron-transfer reactions in polar solvents.

A microscopic theory of solvent reorganization energy in polar molecular solvents is developed. The theory represents the solvent response as a combination of the density and polarization fluctuations of the solvent given in terms of the density and polarization structure factors. A fully analytical formulation of the theory is provided for a solute of arbitrary shape with an arbitrary distribu...