REACTIONS OF STRONGLY POLAR IONS WITH MOLECULES

被引：22

作者：

CLARY, DC

机构：

[1] Department of Chemistry, University of Cambridge, Cambridge

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 232卷 / 03期

关键词：

D O I：

10.1016/0009-2614(94)01349-Z

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 theoretical study is reported on the effect of various long-range terms in the potential energy surface on the rate constants for the reactions of strongly polar ArH3+ with H2O and NH3. A rotationally adiabatic capture theory is used. It is found that dipole-dipole, dipole-induced dipole and dispersion terms produce a small enhancement (about 18%) of the rate constant calculated with only the ion-dipole and ion-induced dipole terms in the potential energy surface. The calculated rate constants agree very well with experiment.

引用

页码：267 / 272

页数：6

共 25 条

[1]

Clary D.C, 1988, RATE COEFFICIENTS AS, P1

[2]

CLARY DC, 1990, ANNU REV PHYS CHEM, V41, P61

[3] CALCULATIONS OF RATE CONSTANTS FOR ION MOLECULE REACTIONS USING A COMBINED CAPTURE AND CENTRIFUGAL SUDDEN APPROXIMATION [J].