Unimolecular dissociation of HOCl:: unexpectedly broad distribution of rate constants

被引：35

作者：

Hauschildt, J

Weiss, J

Beck, C

Grebenshchikov, SY

Düren, R

Schinke, R ^{[1
]}

Koput, J

机构：

[1] Max Planck Inst Stromungsforsch, D-37073 Gottingen, Germany

[2] Adam Mickiewicz Univ, Dept Chem, PL-60780 Poznan, Poland

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 300卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(98)01432-8

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：

The dissociation of HOCl in its electronic ground state is investigated by means of quantum dynamics calculations (filter diagonalization and harmonic inversion of the autocorrelation function) and an ab initio potential energy surface. At threshold, the state-resolved rate constants are scattered over seven orders of magnitude, which is significantly broader than the distribution predicted by random matrix theory. This remarkable state specificity is the fingerprint of the regular dynamics of HOCl even at high energies. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：569 / 576

页数：8

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