Isotopic effects in the product vibrational distribution of the OH(OD) plus HCl reaction

被引：10

作者：

Rodriguez, A

Garcia, E

Hernandez, ML

Laganà, A

机构：

[1] Univ Perugia, Dipartimento Chim, I-03123 Perugia, Italy

[2] Univ Basque Country, Dept Quim Fis, Vitoria 01006, Spain

[3] Univ Salamanca, Dept Fis Atmosfera, E-37008 Salamanca, Spain

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 371卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(03)00251-3

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：

Measured product vibrational distributions of the OH + HCl --> H2O + Cl and OD + HCl --> HOD + Cl reactions show a marked isotopic effect since the HOD product is vibrationally excited while the H2O one is not. Quasiclassical trajectories calculated on a new largest angle generalization of the rotating bond order (LAGROBO) potential energy surface offer a rationale for such an effect in addition to reproducing the measured temperature dependence of the thermal rate coefficient. (C) 2003 Published by Elsevier Science B.V.

引用

页码：223 / 228

页数：6

共 24 条

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