Dissociation dynamics of I2⋅⋅⋅Nen van der Waals clusters (n=1–9): A quasiclassical approach

7 pags., 4 figs., 2 tabs.The dynamics of vibrational predissociation (VP) of van der Waals (vdW) I2⋯Nen 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 I 2 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. © 1991 American Institute of Physics.This work was supported by CYCIT under Grant No. PB87-0272.Peer Reviewe