Reactivity bands in atom--molecule collisions. III. The coplanar (H, H/sub 2/) reaction

Journal Article · Thu Dec 15 04:00:00 EST 1977 · J. Chem. Phys.; (United States)

OSTI ID:5280785

Tan, K G; Laidler, K J; Wright, J S

The coplanar collision of H+H/sub 2/ is studied by quasiclassical methods for translational energies of 0--2 eV. By using systematic selection of initial conditions, reactivity bands are obtained in 2D which are analogous to those seen previously in 1D. Reaction time, product scattering angle, and product internal energy show extrema at band edges. By use of continuity, reactivity maps and product attribute maps are obtained, which show the possible outcome of any given trajectory at selected values of the internal coordinates. Opacity functions and excitation functions are given and compared to those obtained from Monte Carlo calculations on the same system. The origin of time peaks is examined in terms of the internal modes of the H/sub 3/ complex, including the asymmetric stretch. The orientation effect of the H/sub 3/ surface is discussed and used to account for trends in threshold and antithreshold values, and in the increased reactivity observed for nonlinear configurations. Coplanar reaction mechanisms are analyzed and compared to 3D results.

• Research Organization: Department of Chemistry, University of Ottawa, Ottawa, Canada
• OSTI ID: 5280785
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 67:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640303* -- Atomic
Molecular & Chemical Physics-- Positronium
Muonium
& Muonic & Mesic Atoms & Molecules
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTION KINETICS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY RANGE
EV RANGE
EV RANGE 01-10
FLUIDS
HYDROGEN
KINETICS
MILLI EV RANGE
MOLECULE COLLISIONS
NONMETALS
REACTION KINETICS