DISSOCIATION DYNAMICS OF I2=NEN VANDERWAALS CLUSTERS (N = 1-9) - A QUASI-CLASSICAL APPROACH

The dynamics of vibrational predissociation (VP) of van der Waals (vdW) I2 ... Ne(n) clusters is studied by means of a quasiclassical trajectory approach. We assume a near-equilibrium geometry that accounts for the I2 stretch and the stretching and bending modes of the rare gas atoms restricted to move along a plane perpendicular to the I2 axis. A sharp increase of the atoms restricted to move along a plane perpendicular to the I2 axis. A sharp increase of the halfwidth is observed for n = 9 together with certain stability of the n = 8 cluster size with respect to dissociation. It would indicate the existence of a first coordination shell for Ne around I2 containing eight atoms. In addition, the dissociation results less and less efficient as n increases and statistical mechanisms become important for the cluster sizes studied.