Prediction of angular distributions for the F+H/sub 2/ and F+D/sub 2/ reactions

Journal Article · Sun May 01 04:00:00 EDT 1988 · J. Chem. Phys.; (United States)

OSTI ID:5388166

Hayes, E F; Walker, R B

The bending corrected rotating linear model is used to predict angular distributions for the reactions F+H/sub 2/(v = 0)..-->..H+HF(v' = 2,3) and and F+D/sub 2/(v = 0)..-->..D+DF(v' = 3,4). The calculations were performed using the surface (No. 5A) that was reported recently by Steckler, Truhlar, and Garrett. The angular distributions obtained using this new surface differ in several important respects from distributions predicted in earlier quantal scattering studies using the Muckerman-5 surface. More importantly, these new predictions are in much better agreement with the high resolution molecular beam studies of these same reactions. The combination of these predictions with the results of the molecular beam studies provides additional evidence for the role of dynamical resonances in the two title reactions.

• Research Organization: Department of Chemistry, Rice University, Houston, Texas 77251
• OSTI ID: 5388166
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 88:9; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ANGULAR DISTRIBUTION
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
BEAMS
CHEMICAL REACTIONS
COLLISIONS
DEUTERIUM
DISTRIBUTION
ELEMENTS
FLUORINE
HALOGENS
HYDROGEN
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
MOLECULAR BEAMS
MOLECULE COLLISIONS
NONMETALS
NUCLEI
ODD-ODD NUCLEI
STABLE ISOTOPES