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Proceedings Paper

Quantum dynamics of X2BC van der Waals clusters
Author(s): Stephen K. Gray
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Paper Abstract

Wave packet calculations modeling vibrational predissociation in X2BC(v') 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 He2Cl2, and Ne2Cl2. Some preliminary results for He2I2 and Ne2I2 are also discussed. Mechanistic issues, including the role of direct versus sequential mechanisms in leading to the production of 2X + BC are addressed, as well as the role of intramolecular vibrational relaxation (IVR). Higher dimension extensions of the model are suggested.

Paper Details

Date Published: 22 April 1993
PDF: 11 pages
Proc. SPIE 1858, Laser Techniques for State-Selected and State-to-State Chemistry, (22 April 1993); doi: 10.1117/12.143093
Show Author Affiliations
Stephen K. Gray, Argonne National Lab. (United States)

Published in SPIE Proceedings Vol. 1858:
Laser Techniques for State-Selected and State-to-State Chemistry
Cheuk Yiu Ng, Editor(s)

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