Energy release in benzene-argon cluster dissociation - quasiclassical trajectory calculations

Results of quasiclassical trajectory calculations of the dissociation of a highly excited argon-benzene van der Waals cluster are reported. Two intermolecular potentials were used. The average energy removed from the excited benzene molecule, [Delta E], is - 886 cm(-1) for Lennard-Jones potential and - 436 cm(-1) for ab initio potential. The average trajectory lifetimes are 36.3 and 80.4 ps, respectively. The Delta E distribution shows a supercollision tail. No correlation war found between the Lifetime of the cluster and the value of Delta E. The effects of the nature of the potential on the values of [Delta E] and on the long lifetime of the cluster are discussed. (C) 1999 Elsevier Science B.V. All rights reserved.