FAST VIBRATIONAL-RELAXATION FOR A DIPOLAR MOLECULE IN A POLAR-SOLVENT

被引：172

作者：

WHITNELL, RM

WILSON, KR

HYNES, JT

机构：

[1] UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093

[2] UNIV COLORADO,DEPT CHEM & BIOCHEM,BOULDER,CO 80309

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1990年 / 94卷 / 24期

关键词：

D O I：

10.1021/j100387a002

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：

Molecular dynamics computer simulations of CH3Cl, modeled as a vibrating diatomic, in water solvent reveal a rapid vibrational energy relaxation for the polar solute, over a wide range of initial vibrational excitations. A Landau-Teller formula is found to describe well the computed relaxation times. © 1990 American Chemical Society.

引用

页码：8625 / 8628

页数：4