A STUDY OF HOCO RESONANCES IN THE OH-]CO2+H REACTION(CO)

Citation
Mi. Hernandez et Dc. Clary, A STUDY OF HOCO RESONANCES IN THE OH-]CO2+H REACTION(CO), The Journal of chemical physics, 101(4), 1994, pp. 2779-2784
Citations number
29
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
4
Year of publication
1994
Pages
2779 - 2784
Database
ISI
SICI code
0021-9606(1994)101:4<2779:ASOHRI>2.0.ZU;2-R
Abstract
Quasibound states of the HOCO intermediate in the reaction OH+CO-->H+C O2 are studied by means of the stabilization method. A reduced-dimensi onality model is used. The calculated resonance positions and lifetime s agree well with previous quantum scattering calculations. Most of th e quasibound states can be assigned approximately to a vibrational exc itation in the higher frequency OH vibration and different progression s in the HO-CO stretching mode. Some interesting mode-specific effects in the dynamics of the unimolecular decay are predicted.