Reactive differential cross sections in the rotating linear model: reactions of fluorine atoms with hydrogen molecules and their isotopic variants

Journal Article · Thu Jul 19 04:00:00 EDT 1984 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j150659a036· OSTI ID:5961823

Hayes, E F; Walker, R B

Angular distributions are predicted for the reactions f + H/sub 2/(v=0) ..-->.. H + HF(v'=2), F + HD(v=0) ..-->.. D + HF(v'=2), and F + D/sub 2/(v=0) ..-->.. D + DF(v'=3) by solving the quantum-dynamical equations for the rotating linear model with corrections for bending zero-point energy (the BCRLM approximation). For each of these reactions, time delays, deflection functions, opacity functions, and resonance parameters are reported. The resonance contributions to the angular distributions are predicted to be relatively small for each of the title reactions. The resonance lifetimes in all cases are found to be greater than 4 times the vibrational period of the reactant diatomic molecule. However, the angular velocities, lifetimes, and amplitudes of the resonance states are not collectively large enough to produce discernible effects in the angular distributions. Shifts in the peaks of the angular distributions from backward to sideways scattering as the collision energy is increased appear to be due primarily to direct (i.e., nonresonance) scattering. 14 references, 20 figures, 5 tables.

• Research Organization: National Science Foundation, Washington, DC
• OSTI ID: 5961823
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 88:12; ISSN JPCHA
• 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
ANGULAR DISTRIBUTION
ANGULAR MOMENTUM
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COLLISIONS
CROSS SECTIONS
DATA
DEUTERIDES
DEUTERIUM COMPOUNDS
DIFFERENTIAL CROSS SECTIONS
DISTRIBUTION
ELEMENTS
ENERGY LEVELS
ENERGY RANGE
EV RANGE
EXCITED STATES
EXPERIMENTAL DATA
FLUORINE
HALOGENS
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
INELASTIC SCATTERING
INFORMATION
KINETICS
MATHEMATICAL MODELS
MECHANICS
MILLI EV RANGE
MOLECULE COLLISIONS
MOLECULES
NONMETALS
NUMERICAL DATA
OPACITY
OPTICAL PROPERTIES
PHYSICAL PROPERTIES
QUANTUM MECHANICS
REACTION KINETICS
ROTATIONAL STATES
SCATTERING
VIBRATIONAL STATES