A SIMPLE INTERPRETATION OF POLAR SOLVATION DYNAMICS

被引:165
|
作者
MARONCELLI, M
KUMAR, VP
PAPAZYAN, A
机构
[1] Department of Chemistry, 152 Davey Laboratory, Pennsylvania State University, University Park
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 01期
关键词
D O I
10.1021/j100103a004
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In this letter we describe an approximate relationship between the solvation response to changes in solute charge, C(V)(t), and the reorientational dynamics of molecules in the pure solvent, C(l)(t). Computer simulations show that the function {C(l)(t)}alpha(s), where alpha(s) is the solvent dipole density, provides a good approximation to C(V)(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.
引用
收藏
页码:13 / 17
页数:5
相关论文
共 50 条
  • [21] THE DYNAMICS OF POLAR SOLVATION - EXPERIMENT AND COMPUTER-SIMULATION
    HORNG, L
    KUMAR, VP
    MARONCELLI, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 1 - PHYS
  • [22] PICOSECOND SOLVATION DYNAMICS OF ELECTRONS IN DILUTE POLAR FLUIDS
    KENNEYWALLACE, GA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1977, 174 (SEP): : 124 - 124
  • [23] THE DYNAMICS OF POLAR SOLVATION - INHOMOGENEOUS DIELECTRIC CONTINUUM MODELS
    CASTNER, EW
    FLEMING, GR
    BAGCHI, B
    MARONCELLI, M
    JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (06): : 3519 - 3534
  • [24] Probing polar solvation dynamics in proteins: A molecular dynamics simulation analysis
    Golosov, Andrei A.
    Karplus, Martin
    JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (06): : 1482 - 1490
  • [25] NONEXPONENTIAL SOLVATION DYNAMICS OF SIMPLE LIQUIDS AND MIXTURES
    JARZEBA, W
    WALKER, GC
    JOHNSON, AE
    BARBARA, PF
    CHEMICAL PHYSICS, 1991, 152 (1-2) : 57 - 68
  • [26] Nonlinear effects on solvation dynamics in simple mixtures
    Murata, Shuhei
    Yoshimori, Akira
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (24):
  • [27] SHORT-TIME DYNAMICS OF SOLVATION - LINEAR SOLVATION THEORY FOR POLAR-SOLVENTS
    LADANYI, BM
    STRATT, RM
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (09): : 2502 - 2511
  • [28] From dielectric relaxation to polar solvation dynamics in alcohols and amides
    Biswas, R
    Bagchi, B
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1997, 36 (08): : 635 - 643
  • [29] DYNAMICS OF ELECTRON LOCALIZATION, SOLVATION, AND MIGRATION IN POLAR MOLECULAR CLUSTERS
    BARNETT, RN
    LANDMAN, U
    NITZAN, A
    PHYSICAL REVIEW LETTERS, 1989, 62 (01) : 106 - 109
  • [30] Influence of morphology on polar solvation dynamics in lecithin reverse micelles
    Willard, DM
    Levinger, NE
    JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (47): : 11075 - 11080