Nonadiabatic molecular collisions. II. A further trajectory-surface-hopping study of the ArH/sup +//sub 2/ system
Both charge transfer and chemical reaction are studied for the reactants Ar/sup +/+H/sub 2/, Ar+H/sup +//sub 2/, and Ar+D/sup +//sub 2/, using the trajectory-surface-hopping model with diatomics-in-molecules /sup 2/A' surfaces for ArH/sup +//sub 2/. Results are compared with a number of recent experiments. Agreement with experiment is generally satisfactory. The reactions are direct. The Ar/sup +/+H/sub 2/ ..-->.. ArH/sup +/+H reaction is well characterized as a stripping process. Charge transfer occurs predominantly by long-range electron jump. The Ar+H/sup +//sub 2/ and Ar+D/sup +//sub 2/ cross sections depend sensitively on reactant vibration, rising sharply from v = 0 to v = 1, and falling gradually for v> or =2. The ArH/sup +/ product is rotationally hot. Points of disagreement with experiment are discussed in the light of the approximations in the surface and the TSH model.
- Research Organization:
- Joint Institute for Laboratory Astrophysics, National Bureau of Standards and University of Colorado, Boulder, Colorado 80309
- OSTI ID:
- 5886571
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 82:9
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ARGON
ION-ATOM COLLISIONS
ARGON IONS
ION-MOLECULE COLLISIONS
DEUTERIUM IONS
HYDROGEN
HYDROGEN IONS 1 PLUS
ATOMIC IONS
CHARGE EXCHANGE
CHEMICAL REACTIONS
MOLECULAR IONS
ATOM COLLISIONS
CATIONS
CHARGED PARTICLES
COLLISIONS
ELEMENTS
FLUIDS
GASES
HYDROGEN IONS
ION COLLISIONS
IONS
MOLECULE COLLISIONS
NONMETALS
RARE GASES
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena