Solvent Reorganization Energy in Excited-State Electron-Transfer Reactions. Quenching and Geminate-Pair Back Electron Transfer
نویسندگان
چکیده
منابع مشابه
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...
متن کاملSolvent reorganization entropy of electron transfer in polar solvents.
We report the results of molecular dynamics simulations of the solvent reorganization energy of intramolecular electron transfer in a charge-transfer molecule dissolved in water and acetonitrile at varying temperatures. The simulations confirm the prediction of microscopic solvation theories of a positive reorganization entropy in polar solvents. The results of simulations are analyzed in terms...
متن کاملSolvent Reorganization in Long-Range Electron Transfer: Density Matrix Approach
The dynamics of charge transfer from a photoexcited donor to an acceptor coupled through a bridge is investigated by using a correlation-function approach in Liouville space that takes into account solvent dynamics with an arbitrary distribution of time scales. The timeand frequency-resolved fluorescence spectrum from the acceptor is used to probe the scaling of the ET rate with bridge size. Th...
متن کاملSpin-orbit quenching via solvent mediated electron transfer
We simulate the 395 nm photodissociation of I2 2 embedded in clusters of 6 to 22 CO2 molecules. In the isolated molecule, photodissociation at this wavelength leads exclusively to spin-orbit excited iodine (I*) plus I. In the larger clusters we observe efficient electronic relaxation, leading both to dissociated products containing ground-state iodine and to recombined products containing I2 2 ...
متن کاملProbing the Molecular Basis of Solvent Reorganization in Electron-Transfer Reactions
Optical electron transfer in the mixed-valence dimer [ (NH3)5Ru11-4,4'-bpy-Ru'11(NH3)5]5+ has been investigated in mixed solvents (acetonitrile + dimethyl sulfoxide) in order to probe. molecular aspects of solvent reorganization. The basis for extracting information at the molecular level lies in the phenomenon of selective solvation and the resulting ability to vary the composition of the dime...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 1997
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp970161y