Infinite-order-sudden method for light--heavy--light reactions: Application to D+HCl. -->. DCl+H

Journal Article · Sat May 15 00:00:00 EDT 1982 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.442832· OSTI ID:5525816

Clary, D C; Drolshagen, G

An infinite-order-sudden (IOS) theory for light-heavy-light reactions is applied to the D+HCl(v = 0, j)..-->..DCl(v'< or =1, j')+H reaction. The results are compared with those obtained using a more accurate quantum-dynamical technique, the ESA--CSA method, in which the energy sudden approximation is used for the entrance channel, while the centrifugal sudden approximation is employed for the exit channel. The computations have been performed using LEPS and DIM potential energy surfaces. We obtain good agreement between the IOS and ESA--CSA results, not only for averaged quantities such as rate coefficients, but also for detailed vibrational-rotational reactive cross sections.

• Research Organization: Department of Chemistry, University of Manchester Institute of Science and Technology, Manchester M6O 1QD, England
• OSTI ID: 5525816
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 76:10; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular &amp; Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CROSS SECTIONS
DEUTERIUM
HYDROCHLORIC ACID
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INORGANIC ACIDS
ISOTOPES
LIGHT NUCLEI
MOLECULE COLLISIONS
NUCLEI
ODD-ODD NUCLEI
STABLE ISOTOPES
SUDDEN APPROXIMATION