Vibrational predissociation of the Ne–C2H4 and Ar–C2H4 van der Waals complexes

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Abstract
Calculations of vibrational predissociation lifetimes and product state distributions are carried out for the van der Waals complexes Ne–C2H4 and Ar–C2H4. The technique uses a scattering wave function expanded in molecular vibrational states coupled with azimuthal basis functions describing the rotation of the C2H4 molecule about the C–C axis. A model potential based on pairwise‐additive atom–atom potentials is employed. For states of the complex correlating with ethylene in its ν7 vibrationally excited state, fast vibrational predissociation to form vibrationally excited (ν10) fragments is found to be dominant. By contrast, predissociation to form ground state fragments is very slow. The shortest lifetimes calculated are 260 ps for Ne–C2H4 and 48 ps for Ar–C2H4, corresponding to linewidths of 0.02 and 0.11 cm−1, respectively.