A three-dimensional, quantum mechanical study of exchange and charge transfer processes in the (Ar+H2)+ system
- 15 October 1987
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 87 (8) , 4651-4664
- https://doi.org/10.1063/1.452828
Abstract
A three‐dimensional quantum mechanical study of the (Ar+H2)+ system was carried out within the reactive infinite order sudden approximation. All three arrangement channels for exchange and charge transfer were treated simultaneously. Steric factors, opacity functions, angular distributions, and integral cross sections were calculated. Whenever possible, these were compared with both experimental and trajectory surface hopping (TSH) results. Whereas the fit with the TSH results was reasonable, the fit obtained with the experiment was less satisfactory. The reason for that can be attributed at least partially to the semiempirical DIM potential employed in the calculation.Keywords
This publication has 38 references indexed in Scilit:
- New implementation to approximate quantum mechanical treatment of atom-diatom chemical reactionsThe Journal of Physical Chemistry, 1986
- Calculations of rate constants for ion-molecule reactions using a combined capture and centrifugal sudden approximationMolecular Physics, 1985
- A quasiclassical trajectory study of the F+HH⇄FH+H reactionThe Journal of Chemical Physics, 1983
- A Review of Quantum‐Mechanical Approximate Treatments of Three‐Body Reactive SystemsAdvances in Chemical Physics, 1982
- Charge transfer between H2+and AR: the effect of molecular vibration studied using photoelectron-photoion coincidence spectroscopyJournal of Physics B: Atomic and Molecular Physics, 1980
- Electronic transitions in the ion-molecule reaction ( + →Ar + )→Ar + HPhysical Review A, 1979
- Complex Formation in Reactive and Inelastic Scattering: Statistical Adiabatic Channel Model of Unimolecular Processes IIIBerichte der Bunsengesellschaft für physikalische Chemie, 1975
- Energy disposal and energy consumption in elementary chemical reactions. Information theoretic approachAccounts of Chemical Research, 1974
- Ion-molecule reactions of the rare gases with hydrogen. Part 1.—Diatomics-in-molecules potential energy surface for ArH+2Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1972
- Chemical Accelerator Studies of Isotope Effects on Collision Dynamics of Ion–Molecule Reactions: Elaboration of a Model for Direct ReactionsThe Journal of Chemical Physics, 1970