Quantum dynamics of X{sub 2}BC van der Waals clusters
Conference
·
OSTI ID:10125323
Wave packet calculations modeling vibrational predissociation in X{sub 2}BC(v{sup {prime}}) van der Waals clusters are discussed. A model involving three active degrees of freedom is used. Cluster lifetimes and BC vibrational product distributions are obtained, and compared with available experimental results for He{sub 2}Cl{sub 2}, and Ne{sub 2}Cl{sub 2}. Some preliminary results for He{sub 2}I{sub 2} and Ne{sub 2}I{sub 2} are also discussed. Mechanistic issues, including the role of direct versus sequential mechanisms in leading to the production of 2X {plus} BC are addressed, as well as the role of intramolecular vibrational relaxation (IVR). Higher dimension extensions of the model are suggested. 3 figs., 3 tabs., 22 refs.
- Research Organization:
- Argonne National Lab., IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10125323
- Report Number(s):
- ANL/CHM/CP--78499; CONF-930159--4; ON: DE93006416
- Country of Publication:
- United States
- Language:
- English
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