ON THE EFFECTS OF AN INTERNAL BARRIER ON FAST 4-ATOM ION-MOLECULE REACTIONS

Citation
Ml. Dubernet et al., ON THE EFFECTS OF AN INTERNAL BARRIER ON FAST 4-ATOM ION-MOLECULE REACTIONS, The Journal of chemical physics, 105(3), 1996, pp. 953-964
Citations number
55
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
3
Year of publication
1996
Pages
953 - 964
Database
ISI
SICI code
0021-9606(1996)105:3<953:OTEOAI>2.0.ZU;2-6
Abstract
We investigate the influence of an internal barrier on an exothermic a diabatic reaction model between diatomic ions and molecules. Reaction cross-sections are calculated from quasi-classical trajectories for di fferent initial vibrational and rotational states of the reactants and for relative collision energies in the range from 0.01 to 3 eV. It is shown that the height of a late internal barrier strongly influences both the characteristics of the state-selected cross-sections and the energy distributions of the products. In contrast to complex formation in the entrance region according to the Langevin model our analysis e mphasizes the role of the full potential energy surface for an underst anding of the dynamics of ion-molecule reactions. (C) 1996 American In stitute of Physics.