Molecular beam studies of the F+H/sub 2/ reaction

Journal Article · Mon Apr 01 00:00:00 EST 1985 · J. Chem. Phys.; (United States)

OSTI ID:5923025

Neumark, D M; Wodtke, A M; Robinson, G N; Hayden, C C; Lee, Y T

The dynamics of the F+H/sub 2/ reaction have been investigated in a high resolution crossed molecular beam study. Differential cross sections and kinetic energy distributions were obtained for each HF vibrational state. The v = 1 and v = 2 states were predominantly backward scattered, but substantial forward scattering was observed for HF (v = 3) over the range of collision energies accessible in our apparatus, from 0.7 to 3.4 kcal/mol. The results strongly suggest that dynamical resonances play a significant role in the reaction dynamics of F+H/sub 2/ and that resonance effects are most prominent in the v = 3 product channel. Quantal reactive scattering calculations on F+H/sub 2/ predict that the v = 2 channel should be most strongly affected by resonances. This discrepancy is attributed to inadequacies in the potential energy surface used in the calculations, and several modifications to the surface are proposed based on the experimental results. Other features of the reaction are also discussed, including the integrated partial cross sections, the effect of H/sub 2/ rotation, and the reactivity of F(/sup 2/P/sub 1/2/).

• Research Organization: Materials and Molecular Research Division, Lawrence Berkeley Laboratory and Department of Chemistry, University of California, Berkeley, California 94720
• OSTI ID: 5923025
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 82:7; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
BEAMS
CHEMICAL REACTION KINETICS
CROSS SECTIONS
DIFFERENTIAL CROSS SECTIONS
DISTRIBUTION
ELEMENTS
ENERGY
FLUORINE
HALOGENS
HYDROGEN
KINETIC ENERGY
KINETICS
MOLECULAR BEAMS
NONMETALS
REACTION KINETICS