Wave packet studies of the vibrational predissociation of three- and four-atom Van der Waals complexes

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.