TIME-DEPENDENT TREATMENT OF INTRAMOLECULAR ENERGY-TRANSFER FOR HEICL COMPLEX

Citation
X. Zhao et al., TIME-DEPENDENT TREATMENT OF INTRAMOLECULAR ENERGY-TRANSFER FOR HEICL COMPLEX, Chinese journal of chemistry, 15(3), 1997, pp. 218-224
Citations number
22
Categorie Soggetti
Chemistry
ISSN journal
1001604X
Volume
15
Issue
3
Year of publication
1997
Pages
218 - 224
Database
ISI
SICI code
1001-604X(1997)15:3<218:TTOIEF>2.0.ZU;2-X
Abstract
The time-dependent golden wave packet method has been used for calcula ting the decay widths of vibrational predissociation for HeICl complex in the B state with total angular momentum J=0. This is a good exampl e of intramolecular energy transfer, We examine the dependence of the final rotational distribution (partial decay width) of ICI fragment an the stretching excitation. It is found that computed final rotational distributions are weakly dependent on the vibrational level being exc ited. Unlike the smoothly varying rotational distribution for lower in itial vibrational levels, for higher initial vibrational levels the ro tational distribution indicates the very pronounced oscillatory struct ure. The analysis of the rotational distribution as a function of prop agation time reveals the predominant role of the final states interact ion in determining the final rotational distribution.