QUANTUM DYNAMICS OF ARI2 VIBRATIONAL PREDISSOCIATION INCLUDING LOW TOTAL ANGULAR MOMENTA - THE ROLE OF INTRAMOLECULAR VIBRATIONAL-ENERGY REDISTRIBUTION

Authors
Citation
O. Roncero et Sk. Gray, QUANTUM DYNAMICS OF ARI2 VIBRATIONAL PREDISSOCIATION INCLUDING LOW TOTAL ANGULAR MOMENTA - THE ROLE OF INTRAMOLECULAR VIBRATIONAL-ENERGY REDISTRIBUTION, The Journal of chemical physics, 104(13), 1996, pp. 4999-5011
Citations number
44
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
104
Issue
13
Year of publication
1996
Pages
4999 - 5011
Database
ISI
SICI code
0021-9606(1996)104:13<4999:QDOAVP>2.0.ZU;2-4
Abstract
Full-dimensional quantum dynamics calculations on ArI2(B,v(i)) vibrati onal predissociation with total angular momenta J=0, 1, and 2 are pres ented. Models based on a few interacting states are shown to reproduce important aspects of the dynamics, confirming that vibrational predis sociation is mediated by a few-state intramolecular vibrational energy redistribution effect. As a consequence, vibrational predissociation rate constants exhibit large oscillations with v(i), the initial I-2 v ibrational quantum number in the complex. The qualitative effect persi sts when alternative choices for the interaction potential parameters are considered. Similarly, despite the importance of Coriolis coupling , the effect persists as J is varied from 0 to 2. We also discuss how the effect may be difficult to observe in typical experiments that inv olve higher J values. (C) 1996 American Institute of Physics.