Mechanisms of atom-exchange reactions in rare gas atom--diatom collisions: Kr+NeAr, Ar+ArKr, Kr+Ar/sub 2/, Xe+Ar/sub 2/

Journal Article · Wed Dec 15 04:00:00 EST 1982 · J. Chem. Phys.; (United States)

OSTI ID:6559198

Raff, L M; Thompson, D L

Atom-exchange and dissociation reaction cross sections, angular distributions, and product-energy distributions have been computed for the Kr+NeAr, Kr+Ar/sub 2/, and Xe+Ar/sub 2/ van der Waals reactions using Monte Carlo quasiclassical trajectories. Angular and product-energy distributions were also computed for the Ar+ArKr atom-exchange reactions. Detailed collision mechanisms are suggested to explain the cross section ratios for the atom-exchange branching for the two reactions. The trajectory results indicate that the branching ratio is the result of a competition between statistical factors, which tend to favor the more exothermic pathway, and mechanistic factors which tend to favor abstraction of the lighter atom of the reactant diatom through a stripping mechanism.

• Research Organization: Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078
• OSTI ID: 6559198
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 77:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ANGULAR DISTRIBUTION
ARGON
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CROSS SECTIONS
DIMERS
DISSOCIATION
DISTRIBUTION
ELEMENTS
FLUIDS
GASES
KRYPTON
MOLECULE COLLISIONS
MOLECULES
NEON
NONMETALS
POLYATOMIC MOLECULES
RARE GASES
XENON