MOLECULAR THEORY OF ULTRAFAST SOLVATION IN LIQUID ACETONITRILE

被引：53

作者：

ROY, S ^{[1
]}

KOMATH, S ^{[1
]}

BAGCHI, B ^{[1
]}

机构：

[1] JAWAHARLAL NEHRU CTR ADV SCI RES, BANGALORE, INDIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 99卷 / 04期

关键词：

D O I：

10.1063/1.465170

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：

A microscopic calculation of solvation dynamics of an immobile solute ion in liquid acetonitrile is presented. The dynamical information necessary for this calculation is obtained from the Kerr and dielectric relaxation of the neat liquid. The calculated solvation time correlation function is in excellent agreement with both the experimental and the simulated results.

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页码：3139 / 3142

页数：4

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