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
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.
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页码:13 / 17
页数:5
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