Wave packet studies of the vibrational predissociation of three- and four-atom Van der Waals complexes
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions
- Vol. 97, 143-154
- https://doi.org/10.1039/fd9949700143
Abstract
Vibrational predissociation of XI2 and X2I2 Van der Waals complexes, with X = He and Ne, is studied with wave packets. Three-dimensional calculations are carried out on the three-atom systems. Suitable X⋯I potential interactions are determined and product distributions are predicted. Reduced dimension models of X2I2(v′)→ 2X + I2(v < v′) are investigated. Comparison is made with available experimental results. Mechanistic issues, including the role of intramolecular vibrational relaxation resonances, are addressed.Keywords
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