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Volumn 108, Issue 1, 1998, Pages 142-153

Vibrational phase and energy relaxation of CN- in water

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EID: 0001576208     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475389     Document Type: Article
Times cited : (172)

References (74)
  • 10
    • 0012607756 scopus 로고
    • R. M. Whitnell, K. R. Wilson, and J. T. Hynes, J. Phys. Chem. 94, 8625 (1990); J. Chem. Phys. 96, 5354 (1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 5354
  • 16
    • 0001349513 scopus 로고
    • H. Gai and G. A. Voth, J. Chem. Phys. 99, 740 (1993); Y. C. Sun, H. Gai, and G. A. Voth, Chem. Phys. 205, 11 (1996).
    • (1993) J. Chem. Phys. , vol.99 , pp. 740
    • Gai, H.1    Voth, G.A.2
  • 17
    • 0030531730 scopus 로고    scopus 로고
    • H. Gai and G. A. Voth, J. Chem. Phys. 99, 740 (1993); Y. C. Sun, H. Gai, and G. A. Voth, Chem. Phys. 205, 11 (1996).
    • (1996) Chem. Phys. , vol.205 , pp. 11
    • Sun, Y.C.1    Gai, H.2    Voth, G.A.3
  • 23
    • 2842611400 scopus 로고    scopus 로고
    • edited by P. F. Barbara. J. G. Fujimoto. W. H. Knox, and W. Zinth Springer, Berlin
    • R. Rey and J. T. Hynes, in Ultrafast Phenomena X, edited by P. F. Barbara. J. G. Fujimoto. W. H. Knox, and W. Zinth (Springer, Berlin, 1996) pp. 294-295.
    • (1996) Ultrafast Phenomena X , pp. 294-295
    • Rey, R.1    Hynes, J.T.2
  • 24
    • 0000733442 scopus 로고
    • R. Rey, E. Guàrdia, and J. A. Padró, J. Chem. Phys. 97, 1343 (1992). For a contrasting qualitative behavior on a solute coordinate force tcg in water, see B. J. Gertner, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 90, 3537 (1990).
    • (1992) J. Chem. Phys. , vol.97 , pp. 1343
    • Rey, R.1    Guàrdia, E.2    Padró, J.A.3
  • 25
    • 2742571961 scopus 로고
    • R. Rey, E. Guàrdia, and J. A. Padró, J. Chem. Phys. 97, 1343 (1992). For a contrasting qualitative behavior on a solute coordinate force tcg in water, see B. J. Gertner, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 90, 3537 (1990).
    • (1990) J. Chem. Phys. , vol.90 , pp. 3537
    • Gertner, B.J.1    Wilson, K.R.2    Hynes, J.T.3
  • 27
    • 85034478875 scopus 로고    scopus 로고
    • note
    • BT (≈5 in the present case) with respect to Eq. (2.4). We do not adopt this prescription here in view of the decidedly anharmonic character of the solvent.
  • 41
    • 26644438864 scopus 로고
    • G. Ciccotti, M. Ferrario, J. T. Hynes, and R. Kapral, J. Chem. Phys. 93, 7137 (1990); E. Guàrdia, R. Rey, and J. A. Padró, Chem. Phys. 155, 187 (1991); J. Chem. Phys. 95, 2823 (1991).
    • (1991) Chem. Phys. , vol.155 , pp. 187
    • Guàrdia, E.1    Rey, R.2    Padró, J.A.3
  • 42
    • 36449000305 scopus 로고
    • G. Ciccotti, M. Ferrario, J. T. Hynes, and R. Kapral, J. Chem. Phys. 93, 7137 (1990); E. Guàrdia, R. Rey, and J. A. Padró, Chem. Phys. 155, 187 (1991); J. Chem. Phys. 95, 2823 (1991).
    • (1991) J. Chem. Phys. , vol.95 , pp. 2823
  • 43
    • 33646409342 scopus 로고
    • L. X. Dang and B. C. Garret, J. Chem. Phys. 99, 2972 (1993); D. Serxner, C. E. H. Dessent, and M. A. Johnson, ibid. 105, 7231 (1996); and references therein.
    • (1993) J. Chem. Phys. , vol.99 , pp. 2972
    • Dang, L.X.1    Garret, B.C.2
  • 44
    • 0000917951 scopus 로고    scopus 로고
    • and references therein
    • L. X. Dang and B. C. Garret, J. Chem. Phys. 99, 2972 (1993); D. Serxner, C. E. H. Dessent, and M. A. Johnson, ibid. 105, 7231 (1996); and references therein.
    • (1996) J. Chem. Phys. , vol.105 , pp. 7231
    • Serxner, D.1    Dessent, C.E.H.2    Johnson, M.A.3
  • 47
    • 84946285451 scopus 로고
    • J. P. Pechargd, W. F. Murphy, and H. J. Bernstein, Mol. Phys. 23, 499 (1972); J. Hyde Campbell, J. F. Fisher, and J. Jonas, J. Chem. Phys. 61, 346 (1974); J. Schroeder, V. H. Schiemann, and J. Jonas, Mol. Phys. 34, 1501 (1977); W. Shindler and J. Jonas, J. Chem. Phys. 72, 5019,73 (1980).
    • (1972) Mol. Phys. , vol.23 , pp. 499
    • Pechargd, J.P.1    Murphy, W.F.2    Bernstein, H.J.3
  • 48
    • 0038129075 scopus 로고
    • J. P. Pechargd, W. F. Murphy, and H. J. Bernstein, Mol. Phys. 23, 499 (1972); J. Hyde Campbell, J. F. Fisher, and J. Jonas, J. Chem. Phys. 61, 346 (1974); J. Schroeder, V. H. Schiemann, and J. Jonas, Mol. Phys. 34, 1501 (1977); W. Shindler and J. Jonas, J. Chem. Phys. 72, 5019,73 (1980).
    • (1974) J. Chem. Phys. , vol.61 , pp. 346
    • Hyde Campbell, J.1    Fisher, J.F.2    Jonas, J.3
  • 49
    • 0037985951 scopus 로고
    • J. P. Pechargd, W. F. Murphy, and H. J. Bernstein, Mol. Phys. 23, 499 (1972); J. Hyde Campbell, J. F. Fisher, and J. Jonas, J. Chem. Phys. 61, 346 (1974); J. Schroeder, V. H. Schiemann, and J. Jonas, Mol. Phys. 34, 1501 (1977); W. Shindler and J. Jonas, J. Chem. Phys. 72, 5019,73 (1980).
    • (1977) Mol. Phys. , vol.34 , pp. 1501
    • Schroeder, J.1    Schiemann, V.H.2    Jonas, J.3
  • 50
    • 0041934111 scopus 로고
    • J. P. Pechargd, W. F. Murphy, and H. J. Bernstein, Mol. Phys. 23, 499 (1972); J. Hyde Campbell, J. F. Fisher, and J. Jonas, J. Chem. Phys. 61, 346 (1974); J. Schroeder, V. H. Schiemann, and J. Jonas, Mol. Phys. 34, 1501 (1977); W. Shindler and J. Jonas, J. Chem. Phys. 72, 5019,73 (1980).
    • (1980) J. Chem. Phys. , vol.72 , pp. 5019
    • Shindler, W.1    Jonas, J.2
  • 51
    • 85034484516 scopus 로고    scopus 로고
    • note
    • -1. Since these latter calculations are subject to a larger indeterminacy, given that they only involved a single run of 60 ps in comparison with the 420 ps for TIP4P, the values for the shift are virtually indistinguishable regarding solvent parameters.
  • 56
    • 0343548141 scopus 로고
    • B. R. Johnson, J. Chem. Phys. 67, 4086 (1977); J. Roemelt, Chem. Phys. Lett. 74, 263 (1980).
    • (1977) J. Chem. Phys. , vol.67 , pp. 4086
    • Johnson, B.R.1
  • 57
    • 84856126271 scopus 로고
    • B. R. Johnson, J. Chem. Phys. 67, 4086 (1977); J. Roemelt, Chem. Phys. Lett. 74, 263 (1980).
    • (1980) Chem. Phys. Lett. , vol.74 , pp. 263
    • Roemelt, J.1
  • 62
    • 85034462878 scopus 로고    scopus 로고
    • note
    • For a prior example of such an indirect effect in connection with energy relaxation, see Ref. 13.
  • 63
    • 85034477073 scopus 로고    scopus 로고
    • note
    • A different separation of the forces might be more useful to understand vibrational dephasing, but as other authors have already pointed out in Ref. 5, this is an open question. The suggested separation between short range and long range forces (Ref. 45) (defined in a precise way) does not appear to be more useful. Computer simulations (Ref. 55) have shown that even when each of these forces have rather different time scales there is substantial cross correlation. Furthermore, it appears that the importance of cross correlation cannot be generally associated with a special sensitivity of dephasing to the model employed (Refs. 5 and 55).
  • 65
    • 85034480723 scopus 로고    scopus 로고
    • note
    • Moreover, if we include the factor proposed in Ref. 26, the theoretical result would go down to ≈12 ps.
  • 66
    • 0000756317 scopus 로고
    • T. R. Dyke, J. Chem. Phys. 66, 492 (1977); J. R. Reimers and R. O. Watts, Chem. Phys. 85, 83 (1984).
    • (1977) J. Chem. Phys. , vol.66 , pp. 492
    • Dyke, T.R.1
  • 69
    • 85034473655 scopus 로고    scopus 로고
    • note
    • 2O. This is an interesting further issue to pursue in future work. In this connection, it is worth noting that while the band in question is apparent (though weak) in experimental water spectra (Ref. 61), it is absent in all water simulation models of which we are aware (with the exception of the model of Ref. 62).
  • 73
    • 8844276267 scopus 로고
    • J. E. Bertie, M. K. Ahmed, and H. H. Eysel, J. Phys. Chem. 93, 2210 (1989); Y. Maréchal, J. Chem. Phys. 95, 5565 (1991).
    • (1991) J. Chem. Phys. , vol.95 , pp. 5565
    • Maréchal, Y.1


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