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Volumn 107, Issue 5, 1997, Pages 1362-1374

Nonlinear effects in dipole solvation. I. Thermodynamics

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; SATURATION (MATERIALS COMPOSITION); SOLVENTS; SPECTROSCOPY; THERMAL EXPANSION; THERMODYNAMICS;

EID: 0031208064     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474483     Document Type: Article
Times cited : (8)

References (65)
  • 1
    • 12944331804 scopus 로고
    • T. Kakitani and N. Mataga, Chem. Phys. 93, 381 (1985); J. Phys. Chem. 90, 993 (1986); 91, 6277 (1987); Y. Hatano, M. Saito, T. Kakitani, and N. Mataga, ibid. 92, 1008 (1988).
    • (1985) Chem. Phys. , vol.93 , pp. 381
    • Kakitani, T.1    Mataga, N.2
  • 2
    • 0001664416 scopus 로고
    • T. Kakitani and N. Mataga, Chem. Phys. 93, 381 (1985); J. Phys. Chem. 90, 993 (1986); 91, 6277 (1987); Y. Hatano, M. Saito, T. Kakitani, and N. Mataga, ibid. 92, 1008 (1988).
    • (1986) J. Phys. Chem. , vol.90 , pp. 993
  • 3
    • 0001190267 scopus 로고
    • T. Kakitani and N. Mataga, Chem. Phys. 93, 381 (1985); J. Phys. Chem. 90, 993 (1986); 91, 6277 (1987); Y. Hatano, M. Saito, T. Kakitani, and N. Mataga, ibid. 92, 1008 (1988).
    • (1987) J. Phys. Chem. , vol.91 , pp. 6277
  • 6
    • 0000354626 scopus 로고
    • R. A. Kuharski, J. S. Bader, D. Chandler, M. Sprik, M. Klein, and R. W. Impey, J. Chem. Phys. 89, 3248 (1988); G. King and A. Warshel, ibid. 93, 8682 (1990).
    • (1990) J. Chem. Phys. , vol.93 , pp. 8682
    • King, G.1    Warshel, A.2
  • 8
    • 85033169412 scopus 로고    scopus 로고
    • note
    • The ET dipole is formed by the difference of the electric fields of the transferred electron localized at the acceptor and donor sites. It determines the magnitude of the ET solvent reorganization energy, whereas the total fields of the donor and acceptor enter into the solvation part of the equilibrium ET energy gap.
  • 12
    • 0000647979 scopus 로고
    • R. F. Loring, J. Phys. Chem. 94, 513 (1990); N. E. Shemetulskis and R. F. Loring, J. Chem. Phys. 95, 4756 (1991).
    • (1990) J. Phys. Chem. , vol.94 , pp. 513
    • Loring, R.F.1
  • 16
    • 0001388813 scopus 로고
    • G. Stell, J. C. Rasaiah, and H. Narang, Mol. Phys. 23, 393 (1972); G. S. Rushbrooke, G. Stell, and J. S. Høye, ibid. 26, 1199 (1973); G. Stell, in Modern Theoretical Chemistry, V. 5. Part A. Equilibrium Techniques, edited by B. J. Berne (Plenum, New York, 1977).
    • (1972) Mol. Phys. , vol.23 , pp. 393
    • Stell, G.1    Rasaiah, J.C.2    Narang, H.3
  • 17
    • 79952191589 scopus 로고
    • G. Stell, J. C. Rasaiah, and H. Narang, Mol. Phys. 23, 393 (1972); G. S. Rushbrooke, G. Stell, and J. S. Høye, ibid. 26, 1199 (1973); G. Stell, in Modern Theoretical Chemistry, V. 5. Part A. Equilibrium Techniques, edited by B. J. Berne (Plenum, New York, 1977).
    • (1973) Mol. Phys. , vol.26 , pp. 1199
    • Rushbrooke, G.S.1    Stell, G.2    Høye, J.S.3
  • 18
    • 0001388813 scopus 로고
    • edited by B. J. Berne Plenum, New York
    • G. Stell, J. C. Rasaiah, and H. Narang, Mol. Phys. 23, 393 (1972); G. S. Rushbrooke, G. Stell, and J. S. Høye, ibid. 26, 1199 (1973); G. Stell, in Modern Theoretical Chemistry, V. 5. Part A. Equilibrium Techniques, edited by B. J. Berne (Plenum, New York, 1977).
    • (1977) Modern Theoretical Chemistry, V. 5. Part A. Equilibrium Techniques , vol.5
    • Stell, G.1
  • 21
    • 36749114807 scopus 로고
    • G. N. Patey, G. M. Torrie, and J. P. Valleau, J. Chem. Phys. 71, 96 (1979); V. Venkatasubramanian, K. E. Gubbins, C. G. Gray, and C. G. Joslin, Mol. Phys. 52, 1411 (1984).
    • (1979) J. Chem. Phys. , vol.71 , pp. 96
    • Patey, G.N.1    Torrie, G.M.2    Valleau, J.P.3
  • 25
    • 0000754330 scopus 로고
    • C. G. Gray, K. E. Gubbins, and C. H. Twu, J. Chem. Phys. 69, 182 (1978); K. S. Shing and K. E. Gubbins, Mol. Phys. 45, 129 (1982).
    • (1982) Mol. Phys. , vol.45 , pp. 129
    • Shing, K.S.1    Gubbins, K.E.2
  • 26
    • 0031210333 scopus 로고    scopus 로고
    • following paper. (This will be referred to as paper II in the text.)
    • D. V. Matyushov and B. M. Ladanyi, J. Chem. Phys. 107, 1375 (1997), following paper. (This will be referred to as paper II in the text.)
    • (1997) J. Chem. Phys. , vol.107 , pp. 1375
    • Matyushov, D.V.1    Ladanyi, B.M.2
  • 28
    • 85033173913 scopus 로고    scopus 로고
    • note
    • 0 because the former is more commonly used in calculating solvation energies and spectroscopic applications (Ref. 17).
  • 32
    • 0001043340 scopus 로고
    • H. Simon, V. Dobrosavljević, and R. M. Stratt, J. Chem. Phys. 93, 2640 (1990); J. G. Saven and J. L. Skinner, J. Chem. Phys. 99, 4391 (1993); M. D. Stephens, J. G. Saven, and J. L. Skinner, ibid. 106, 2129 (1997).
    • (1990) J. Chem. Phys. , vol.93 , pp. 2640
    • Simon, H.1    Dobrosavljević, V.2    Stratt, R.M.3
  • 33
    • 0000246634 scopus 로고
    • H. Simon, V. Dobrosavljević, and R. M. Stratt, J. Chem. Phys. 93, 2640 (1990); J. G. Saven and J. L. Skinner, J. Chem. Phys. 99, 4391 (1993); M. D. Stephens, J. G. Saven, and J. L. Skinner, ibid. 106, 2129 (1997).
    • (1993) J. Chem. Phys. , vol.99 , pp. 4391
    • Saven, J.G.1    Skinner, J.L.2
  • 34
    • 0031559101 scopus 로고    scopus 로고
    • H. Simon, V. Dobrosavljević, and R. M. Stratt, J. Chem. Phys. 93, 2640 (1990); J. G. Saven and J. L. Skinner, J. Chem. Phys. 99, 4391 (1993); M. D. Stephens, J. G. Saven, and J. L. Skinner, ibid. 106, 2129 (1997).
    • (1997) J. Chem. Phys. , vol.106 , pp. 2129
    • Stephens, M.D.1    Saven, J.G.2    Skinner, J.L.3
  • 38
    • 36849099819 scopus 로고
    • L. Blum and A. J. Torruella, J. Chem. Phys. 56, 303 (1971); L. Blum, ibid. 57, 1862 (1972); 58, 3295 (1973).
    • (1972) J. Chem. Phys. , vol.57 , pp. 1862
    • Blum, L.1
  • 39
    • 0342974575 scopus 로고
    • L. Blum and A. J. Torruella, J. Chem. Phys. 56, 303 (1971); L. Blum, ibid. 57, 1862 (1972); 58, 3295 (1973).
    • (1973) J. Chem. Phys. , vol.58 , pp. 3295
  • 42
    • 0000884742 scopus 로고
    • G. N. Patey, Mol. Phys. 34, 427 (1977); G. N. Patey, D.. Levesque, and J. J. Weis, Mol. Phys. 38, 219 (1979).
    • (1977) Mol. Phys. , vol.34 , pp. 427
    • Patey, G.N.1
  • 48
    • 3743051061 scopus 로고    scopus 로고
    • P. A. Bopp, A. A. Kornyshev, and G. Sutmann, Phys. Rev. Lett. 76, 1280 (1996); A. D. Trokhymchuk, M. F. Holovko, and K. Heinzinger, J. Chem. Phys. 99, 2964 (1993); M. Skaf, in Electron and Ion Transfer in Condensed Matter, edited by A. A. Kornyshev and J. Ulstrup (World Scientific, Singapore, 1997).
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 1280
    • Bopp, P.A.1    Kornyshev, A.A.2    Sutmann, G.3
  • 49
    • 0000586864 scopus 로고
    • P. A. Bopp, A. A. Kornyshev, and G. Sutmann, Phys. Rev. Lett. 76, 1280 (1996); A. D. Trokhymchuk, M. F. Holovko, and K. Heinzinger, J. Chem. Phys. 99, 2964 (1993); M. Skaf, in Electron and Ion Transfer in Condensed Matter, edited by A. A. Kornyshev and J. Ulstrup (World Scientific, Singapore, 1997).
    • (1993) J. Chem. Phys. , vol.99 , pp. 2964
    • Trokhymchuk, A.D.1    Holovko, M.F.2    Heinzinger, K.3
  • 50
    • 3743051061 scopus 로고    scopus 로고
    • edited by A. A. Kornyshev and J. Ulstrup World Scientific, Singapore
    • P. A. Bopp, A. A. Kornyshev, and G. Sutmann, Phys. Rev. Lett. 76, 1280 (1996); A. D. Trokhymchuk, M. F. Holovko, and K. Heinzinger, J. Chem. Phys. 99, 2964 (1993); M. Skaf, in Electron and Ion Transfer in Condensed Matter, edited by A. A. Kornyshev and J. Ulstrup (World Scientific, Singapore, 1997).
    • (1997) Electron and Ion Transfer in Condensed Matter
    • Skaf, M.1
  • 54
    • 84906361028 scopus 로고
    • D. V. Matyushov, Mol. Phys. 79, 795 (1993); Chem. Phys. 174, 199 (1993).
    • (1993) Mol. Phys. , vol.79 , pp. 795
    • Matyushov, D.V.1
  • 55
    • 0039932944 scopus 로고
    • D. V. Matyushov, Mol. Phys. 79, 795 (1993); Chem. Phys. 174, 199 (1993).
    • (1993) Chem. Phys. , vol.174 , pp. 199
  • 56
    • 0000763912 scopus 로고
    • B. Roux, H.-A. Yu, and M. Karplus, J. Phys. Chem. 94, 4683 (1990); R. A. Kuharski and D. Chandler, ibid. 91, 2978 (1987); B. Jayaram, R. Fine, K. Sharp, and B. Honig, ibid. 93, 4320 (1989); J. S. Bader and B. J. Berne, J. Chem. Phys. 104, 1293 (1996).
    • (1990) J. Phys. Chem. , vol.94 , pp. 4683
    • Roux, B.1    Yu, H.-A.2    Karplus, M.3
  • 57
    • 11644320953 scopus 로고
    • B. Roux, H.-A. Yu, and M. Karplus, J. Phys. Chem. 94, 4683 (1990); R. A. Kuharski and D. Chandler, ibid. 91, 2978 (1987); B. Jayaram, R. Fine, K. Sharp, and B. Honig, ibid. 93, 4320 (1989); J. S. Bader and B. J. Berne, J. Chem. Phys. 104, 1293 (1996).
    • (1987) J. Phys. Chem. , vol.91 , pp. 2978
    • Kuharski, R.A.1    Chandler, D.2
  • 58
    • 33749637456 scopus 로고
    • B. Roux, H.-A. Yu, and M. Karplus, J. Phys. Chem. 94, 4683 (1990); R. A. Kuharski and D. Chandler, ibid. 91, 2978 (1987); B. Jayaram, R. Fine, K. Sharp, and B. Honig, ibid. 93, 4320 (1989); J. S. Bader and B. J. Berne, J. Chem. Phys. 104, 1293 (1996).
    • (1989) J. Phys. Chem. , vol.93 , pp. 4320
    • Jayaram, B.1    Fine, R.2    Sharp, K.3    Honig, B.4
  • 59
    • 0001553387 scopus 로고    scopus 로고
    • B. Roux, H.-A. Yu, and M. Karplus, J. Phys. Chem. 94, 4683 (1990); R. A. Kuharski and D. Chandler, ibid. 91, 2978 (1987); B. Jayaram, R. Fine, K. Sharp, and B. Honig, ibid. 93, 4320 (1989); J. S. Bader and B. J. Berne, J. Chem. Phys. 104, 1293 (1996).
    • (1996) J. Chem. Phys. , vol.104 , pp. 1293
    • Bader, J.S.1    Berne, B.J.2
  • 64
    • 0004249665 scopus 로고
    • Wiley, New York
    • Y. Marcus, Ion Salvation (Wiley, New York, 1985); D. V. Matyushov and R. Schmid, J. Phys. Chem. 99, 2393 (1995).
    • (1985) Ion Salvation
    • Marcus, Y.1


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