THE EFFECT OF ANGULAR-MOMENTUM ON THE UNIMOLECULAR DISSOCIATION HCO-]H+CO

Authors
Citation
Cy. Yang et Sk. Gray, THE EFFECT OF ANGULAR-MOMENTUM ON THE UNIMOLECULAR DISSOCIATION HCO-]H+CO, The Journal of chemical physics, 107(19), 1997, pp. 7773-7786
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
107
Issue
19
Year of publication
1997
Pages
7773 - 7786
Database
ISI
SICI code
0021-9606(1997)107:19<7773:TEOAOT>2.0.ZU;2-D
Abstract
Full dimensional wave packet calculations are performed to model the u nimolecular dissociation HCO --> H + CO on its ground electronic state . Results of calculations up to total (nuclear) angular momentum J = 1 0 are reported. Most of our results are based on the recent potential surface of Werner, Keller, Schinke, and co-workers, although some comp arative results with the earlier surface of Bowman, Bittman, and Hardi ng are also presented. We focus on certain unimolecular resonances, an d determine their positions, widths, and associated CO product distrib utions. We find good agreement with the available experimental results of Neyer et al. We also consider how rotation affects a group of stat es associated with the 2:1 stretch/bend resonance. Bowman's adiabatic rotation model is found to provide a reasonable description of our res ults, and is also a useful tool for analysis. (C) 1997 American Instit ute of Physics.