DYNAMICAL MODEL FOR S(N)2 REACTIONS IN SOLUTION - THE CL-+CH3CL-]CLCH3+CL- REACTION

被引：27

作者：

BILLING, GD ^{[1
]}

MIKKELSEN, KV ^{[1
]}

机构：

[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS,DENMARK

来源：

CHEMICAL PHYSICS | 1994年 / 182卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(94)00037-9

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 dynamical model for chemical reactions in solution is described. A reacting system and a larger number of solvent molecules are enclosed within a spherical cavity. The molecular reaction dynamics is followed by solving the classical equations of motion of the molecular system within the cavity. The cavity is immersed into a dielectric phonon medium. The rate constant is estimated to be about 3.0 x 10(-30) cm3/s at room temperature.

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页码：249 / 262

页数：14

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