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Volumn 112, Issue 17, 2000, Pages 7538-7550

The short-time dynamics of molecular reorientation in liquids. II. The microscopic mechanism of rotational friction

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EID: 0000703221     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481351     Document Type: Article
Times cited : (21)

References (56)
  • 4
    • 0030829182 scopus 로고    scopus 로고
    • T. W. Nee and R. Zwanzig, J. Chem. Phys. 52, 6353 (1970); M. Maroncelli, ibid. 106, 1545 (1997).
    • (1997) J. Chem. Phys. , vol.106 , pp. 1545
    • Maroncelli, M.1
  • 6
    • 10244274492 scopus 로고
    • D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 94, 6196 (1991); D. S. Alavi, R. S. Hartman, and D. H. Waldeck, ibid. 94, 4509 (1991); D. S. Alavi and D. H. Waldeck, J. Phys. Chem. 95, 4848 (1991); R. S. Hartman, D. S. Alavi, and D. H. Waldeck, ibid. 95, 7872 (1991).
    • (1991) J. Chem. Phys. , vol.94 , pp. 6196
    • Alavi, D.S.1    Waldeck, D.H.2
  • 7
    • 36449002675 scopus 로고
    • D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 94, 6196 (1991); D. S. Alavi, R. S. Hartman, and D. H. Waldeck, ibid. 94, 4509 (1991); D. S. Alavi and D. H. Waldeck, J. Phys. Chem. 95, 4848 (1991); R. S. Hartman, D. S. Alavi, and D. H. Waldeck, ibid. 95, 7872 (1991).
    • (1991) J. Chem. Phys. , vol.94 , pp. 4509
    • Alavi, D.S.1    Hartman, R.S.2    Waldeck, D.H.3
  • 8
    • 0000500611 scopus 로고
    • D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 94, 6196 (1991); D. S. Alavi, R. S. Hartman, and D. H. Waldeck, ibid. 94, 4509 (1991); D. S. Alavi and D. H. Waldeck, J. Phys. Chem. 95, 4848 (1991); R. S. Hartman, D. S. Alavi, and D. H. Waldeck, ibid. 95, 7872 (1991).
    • (1991) J. Phys. Chem. , vol.95 , pp. 4848
    • Alavi, D.S.1    Waldeck, D.H.2
  • 9
    • 0001479785 scopus 로고
    • D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 94, 6196 (1991); D. S. Alavi, R. S. Hartman, and D. H. Waldeck, ibid. 94, 4509 (1991); D. S. Alavi and D. H. Waldeck, J. Phys. Chem. 95, 4848 (1991); R. S. Hartman, D. S. Alavi, and D. H. Waldeck, ibid. 95, 7872 (1991).
    • (1991) J. Phys. Chem. , vol.95 , pp. 7872
    • Hartman, R.S.1    Alavi, D.S.2    Waldeck, D.H.3
  • 14
    • 0011005925 scopus 로고
    • edited by A. J. Barnes, W. J. Orville-Thomas, and J. Yarwood Reidel, Dordrecht
    • R. M. Lynden-Bell, in Molecular Liquids, Dynamics and Interactions, edited by A. J. Barnes, W. J. Orville-Thomas, and J. Yarwood (Reidel, Dordrecht, 1984).
    • (1984) Molecular Liquids, Dynamics and Interactions
    • Lynden-Bell, R.M.1
  • 24
    • 33748625353 scopus 로고    scopus 로고
    • B. M. Ladanyi and R. M. Stratt, J. Phys. Chem. 99, 2502 (1995); 100, 1266 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 1266
  • 29
    • 0042654594 scopus 로고    scopus 로고
    • G. Goodyear, R. E. Larsen, and R. M. Stratt, Phys. Rev. Lett. 76, 243 (1996); G. Goodyear and R. M. Stratt, J. Chem. Phys. 107, 3098 (1997).
    • (1997) J. Chem. Phys. , vol.107 , pp. 3098
    • Goodyear, G.1    Stratt, R.M.2
  • 30
    • 0000594052 scopus 로고
    • γ=0 also yields the relation (2.14). For a discussion of the role of translational invariance in INM spectra, see T.-M. Wu and R. F. Loring, J. Chem. Phys. 97, 8568 (1992); Y. Wan and R. M. Stratt, ibid. 98, 3224 (1993).
    • (1992) J. Chem. Phys. , vol.97 , pp. 8568
    • Wu, T.-M.1    Loring, R.F.2
  • 31
    • 0012677204 scopus 로고
    • γ=0 also yields the relation (2.14). For a discussion of the role of translational invariance in INM spectra, see T.-M. Wu and R. F. Loring, J. Chem. Phys. 97, 8568 (1992); Y. Wan and R. M. Stratt, ibid. 98, 3224 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 3224
    • Wan, Y.1    Stratt, R.M.2
  • 32
    • 85037510535 scopus 로고    scopus 로고
    • note
    • ⊥b satisfy the usual idempotent condition for projection operators (PP=P).
  • 33
    • 85037496403 scopus 로고    scopus 로고
    • note
    • jμ.
  • 36
    • 85037508176 scopus 로고    scopus 로고
    • note
    • The excluded volume reported here is computed assuming a van der Waals radius of σ/2 for each atom in the diatomic.
  • 45
    • 85037502714 scopus 로고    scopus 로고
    • note
    • We use solvent/solute-site distance as a criterion for determining the identity of the nearest neighbors. Because there are two separate atomic sites on our solute, we can therefore end up with either 1 or 2 nearest-neighbor solvent atoms.
  • 46
    • 85037508487 scopus 로고    scopus 로고
    • note
    • The fact that in Table IV we see two of the vibrational friction cases with components having greater than 100% weight arises from the presence of a small nonzero cross term in the particular projection used in this paper. The total coupling strength is a sum of the projected coupling, C(proj), its complement, C(comp), and a cross term, C(cross). However, within the projection scheme we are using for a solute with a finite mass, the cross term can in principle be negative, although the actual value is inevitably tiny. The end result is that it is possible to get C(proj)/C(total) > 1.
  • 47
    • 85037494161 scopus 로고    scopus 로고
    • note
    • Av(r), we find z = 12.12, 11.16, 14.56, 13.93, and 13.65 for bond lengths d/σ= 1.25, 0.65, 0.325, 0.16, and 0.08, respectively.
  • 48
    • 0032606745 scopus 로고    scopus 로고
    • It is nonetheless perfectly possible for some spectroscopic manifestations of rotational and vibrational dynamics to appear to be independent of one another. See, A. Idrissi, M. Ricci, P. Bartolini, and R. Righini, J. Chem. Phys. 111, 4148 (1999).
    • (1999) J. Chem. Phys. , vol.111 , pp. 4148
    • Idrissi, A.1    Ricci, M.2    Bartolini, P.3    Righini, R.4
  • 52
    • 33645817037 scopus 로고    scopus 로고
    • S. Gnanakaran and R. M. Hochstrasser, J. Chem. Phys. 105, 3486 (1996); S. Gnanakaran, M. Lim, N. Pugliano, and R. M. Hochstrasser, J. Phys.: Condens. Matter 8, 9201 (1996).
    • (1996) J. Chem. Phys. , vol.105 , pp. 3486
    • Gnanakaran, S.1    Hochstrasser, R.M.2
  • 55
    • 0005578616 scopus 로고
    • These jumps have also been interpreted as resulting from uncorrelated binary collisions taking place between the solvent molecules and the solute. See, D. Chandler, J. Chem. Phys. 60, 3508 (1974).
    • (1974) J. Chem. Phys. , vol.60 , pp. 3508
    • Chandler, D.1


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