Comparison of variational Rice--Ramsperger--Kassel--Marcus theory with quantum scattering theory for the He+H sup + sub 2 r arrow HeH sup + +H reaction
- Chemistry Department, Case Western Reserve University, Cleveland, Ohio 44106-7078 (United States)
- Theoretical Division (T-12, MS B268), Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
Three-dimensional quantum-scattering-theory calculations of the cumulative reaction probability (CRP) for the He+H{sup +}{sub 2}{r arrow}HeH{sup +}+H reaction are reported for total angular momentum {ital J}=0. The results of these calculations are compared with variational calculations of the number of available states at the transition state for the dissociation of HeH{sup +}{sub 2} into HeH{sup +} and H. For this reaction at zero total angular momentum two separate transition-state regions are found to exist throughout a broad energy range. The long-range transition state is found to be dominant for total energies up to at least 1.5 eV. As a result the energy spacings of the steps observed in the averaged CRP roughly correlate with the product rotational energy spacings.
- OSTI ID:
- 7115562
- Journal Information:
- Journal of Chemical Physics; (United States), Vol. 96:11; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
State-selected reactive scattering. II. He+H sup + sub 2 r arrow HeH sup + +H
Quantum scattering studies of long-lived resonances for the reaction Ne+H[sup +][sub 2][r arrow]NeH[sup +]+H
Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CHEMICAL REACTIONS
QUANTUM MECHANICS
HELIUM
HYDROGEN IONS
ANGULAR MOMENTUM
CATIONS
CORRELATIONS
ION-ATOM COLLISIONS
MOLECULAR IONS
PROBABILITY
RUDERMAN-KITTEL COUPLING
SCATTERING
THREE-DIMENSIONAL CALCULATIONS
VARIATIONAL METHODS
ATOM COLLISIONS
CHARGED PARTICLES
COLLISIONS
COUPLING
ELEMENTS
FLUIDS
GASES
ION COLLISIONS
IONS
MECHANICS
NONMETALS
RARE GASES
400201* - Chemical & Physicochemical Properties
661100 - Classical & Quantum Mechanics- (1992-)