Monte Carlo Simulation Study of Free Energy Curves for Electron Transfer Reactions in Polar Solutions by considering the Electronic Polarizability

References

• Mataga , N. , Asahi , T. , Kanda , Y. , Okada , T. and Kakitani , T. 1988 . The Bell-Shaped Energy Gap Dependence of the Charge Recombination Reaction of Geminate Radical Ion Pairs Produced by Fluorescence Quenching Reaction in Acetonitrile Solution. . Chem. Phys. , 127 : 249
   Web of Science ®Google Scholar
• Wasielewski , M. A. , Niemczyk , M. P. , Svec , W. A. and Pewitt , E. B. 1985 . Dependence of Rate Constants for Photoinduced Charge Separation and Dark large Recombination of the Free Energy of Reaction in Restricted-Distance Porphyrin-Quinone Molecules. . J. Am. Chem. Soc. , 107 : 1080
   Google Scholar
• Rehm , D. and Weller , A. 1970 . Kinetics of Fluorescence Quenching by Electron and H-Atom Transfer. . Israel J. Chem. , 8 : 259
   Web of Science ®Google Scholar
• Mataga , N. , Kanda , Y. , Asahi , T. , Miyasaka , H. , Okada , T. and Kakitani , T. 1988 . Mechanism of the Strongly Exothermic Charge Separation Reaction in the Excited Singlet State. Picosecond Laser Photolysis Studies on Aromatic Hydrocarbon-Tetracyanoethylene and Aromatic Hydrocarbon-Pyromellitic Dianhydride Systems in Polar Solutions. . Chem. Phys. , 127 : 239
   Google Scholar
• Marcus , R. A. 1956 . On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. I. . J. Chem. Phys. , 24 : 966
   Web of Science ®Google Scholar
• Kakitani , T. and Mataga , N. 1985 . Photoinduced Electron Transfer in Polar Solutions. I. New Aspects of the Role of the Solvent Mode in Electron-Transfer Processes in Charge-Separation Reactions. . Chem. Phys. , 93 : 381
   Google Scholar
• Kakitani , T. and Mataga , N. 1986 . Different Energy Gap Laws for the Three Types of Electron-Transfer Reactions in Polar Solvents. . J. Phys. Chem. , 90 : 993
   Google Scholar
• Kakitani , T. and Mataga , N. 1987 . Comprehensive Study on the Role of Coordinated Solvent Mode Played in Electron-Transfer Reactions in Polar Solutions. . J. Phys. Chem. , 91 : 6277
   Google Scholar
• Hatano , Y. , Saitou , M. , Kakitani , T. and Mataga , N. 1988 . Monte Carlo Study of the Dielectric Saturation in Molecular Solutions. Physical Bases of the C Mode in Electron-Transfer Reactions. . J. Phys. Chem. , 92 : 1008
   Google Scholar
• Hwang , J. K. and Warshel , A. 1987 . Microscopic Examination of Free-Energy Relationships for Electron Transfer in Polar Solvents. . J. Am. Chem. Soc. , 109 : 715
   Google Scholar
• Carter , E. A. and Hynes , J. T. 1989 . Solute-Dependent Solvent Force Constants for Ion- and Neutral Pairs in a Polar Solvent. . J. Phys. Chem. , 93 : 2184
   Web of Science ®Google Scholar
• Kuharski , R. A. , Bader , J. S. , Chandler , D. , Sprik , M. , Klein , M. L. and Impey , R. W. 1988 . Molecular Model for Aqueous Ferrous-Ferric Electron Transfer. . J. Chem. Phys. , 89 : 3248
   Web of Science ®Google Scholar
• Kakitani , T. , Yoshimori , A. and Mataga , N. “ Theoretical Analysis of Energy Gap Laws of Electron Transfer Reactions. Distribution Effect of Donor-Acceptor Distance ” . In Electron Transfer in Inorganic, Organic, and Biological Systems, Advances in Chemistry Series , Edited by: Bolton , J. , Mataga , N. and McLendon , G. American Chemical Soc. . in press
   Google Scholar
• Yoshimori , A. and Kakitani , T. Theoretical Study of the Free Energy Curve as a Function of Reaction Coordiante of Electron Transfer by the Cumulant Expansion Methods . J. Chem. Phys. , in press
   Google Scholar
• Yoshimori , A. , Kakitani , T. , Enomoto , Y. and Mataga , N. 1989 . Shapes of the Electron-Transfer Rate vs Energy Gap Relations in Polar Solutions. . J. Phys. Chem. , 93 : 8316
   Web of Science ®Google Scholar
• Marcus , R. A. 1960 . Exchange Reactions and Electron Transfer Reactions Including Isotopic Exchange. Theory of Oxidation-Reduction Reactions Involving Electron Transfer. . Disc. Faraday Soc. , 29 : 21
   Google Scholar
• Warshel , A. 1982 . Dynamics of Reactions in Polar Solvents. Semiclassical Trajectory Studies of Electron-Transfer and Proton-Transfer Reactions. . J. Phys. Chem. , 86 : 2218
   Web of Science ®Google Scholar
• Calef , D. F. and Wolynes , P. G. 1983 . Classical Solvent Dynamics and Electron Transfer. I. Continuum Theory. . J. Phys. Chem. , 87 : 3387
   Web of Science ®Google Scholar
• Calef , D. F. and Wolynes , P. G. 1983 . Classical Solvent Dynamics and Electron Transfer. II. Molecular Aspects. . J. Chem. Phys. , 78 : 470
   Google Scholar
• Tachiya , M. 1989 . Effect of the Dielectric Saturation on the Rates of Electron Transfer in Polar Solvents. . Chem. Phys. Letters , 159 : 505
   Google Scholar
• Applequist , J. , Carl , J. R. and Fung , K. 1972 . An Atom Dipole Interaction Model for Molecular Polarizability. Application to Polyatomic Molecules and Determination of Atom Polarizabilities. . J. Am. Chem. Soc. , 94 : 2952 Taken from Table IV
   Web of Science ®Google Scholar
• Mandel , M. and Mazur , P. 1958 . On the Molecular Theory of Dielectric Polarization . Physica , XXIV : 116
   Google Scholar
• Hatano , Y. , Kakitani , T. , Yoshimori , A. , Saito , M. and Mataga , N. 1990 . Theoretical Study of Dielectric Saturation in Molecular Solutions by the Monte Carlo Simulation. . J. Phys. Soc. Japan , 59 : 1104
   Google Scholar