TITLE

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

AUTHOR(S)
García-Vela, A.; Villarreal, P.; Delgado-Barrio, G.
PUB. DATE
June 1991
SOURCE
Journal of Chemical Physics;6/15/1991, Vol. 94 Issue 12, p7868
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
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 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.
ACCESSION #
7640845

 

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