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

AuthorsGarcía Vela, Alberto ; Villarreal, Pablo ; Delgado Barrio, Gerardo
Issue Date15-Jun-1991
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 94: 7868-7874 (1991)
AbstractThe 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.
Description7 pags., 4 figs., 2 tabs.
Publisher version (URL)https://doi.org/10.1063/1.460122
Identifiersdoi: 10.1063/1.460122
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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