Quantum dynamics of X2BC van der Waals clusters

Stephen K. Gray

doi:10.1117/12.143093

22 April 1993 Quantum dynamics of X2BC van der Waals clusters

Stephen K. Gray

Proceedings Volume 1858, Laser Techniques for State-Selected and State-to-State Chemistry; (1993) https://doi.org/10.1117/12.143093
Event: OE/LASE'93: Optics, Electro-Optics, and Laser Applications in Scienceand Engineering, 1993, Los Angeles, CA, United States

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.

Citation Download Citation

Stephen K. Gray "Quantum dynamics of X2BC van der Waals clusters", Proc. SPIE 1858, Laser Techniques for State-Selected and State-to-State Chemistry, (22 April 1993); https://doi.org/10.1117/12.143093

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