Quantum mechanical study of the collinear Li+FH reaction

Journal Article · Sun Feb 01 04:00:00 EST 1981 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.441265· OSTI ID:6634961

Walker, R B; Zeiri, Y; Shapiro, M

A quantum mechanical collinear model of the LiFH reaction is studied using the semiempirical potential energy surface of Zeiri and Shapiro. Accurate reaction probabilities are presented over the total scattering energy range from 0.5 to 1.6 eV. At 1.6 eV, three HF reactant vibrational states are energetically accessible, and 15 LiF product vibrational states are accessible. The reaction probabilities show extensive resonance features over the energy range considered, and there is considerable evidence for the formation of a long-lived collision complex from the initial v=1 state of HF.

• Research Organization: Theoretical Division, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 6634961
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 74:3; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METALS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
ELEMENTS
HYDROFLUORIC ACID
HYDROGEN COMPOUNDS
INORGANIC ACIDS
LITHIUM
MECHANICS
METALS
MOLECULE COLLISIONS
QUANTUM MECHANICS
SCATTERING