Reactive differential cross sections in the rotating linear model: reactions of fluorine atoms with hydrogen molecules and their isotopic variants
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), Vol. 88:12
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
DEUTERIUM COMPOUNDS
CHEMICAL REACTIONS
INELASTIC SCATTERING
FLUORINE
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
ANGULAR DISTRIBUTION
ANGULAR MOMENTUM
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTION KINETICS
DIFFERENTIAL CROSS SECTIONS
EXPERIMENTAL DATA
MATHEMATICAL MODELS
MILLI EV RANGE
MOLECULES
OPACITY
QUANTUM MECHANICS
ROTATIONAL STATES
VIBRATIONAL STATES
ATOM COLLISIONS
COLLISIONS
CROSS SECTIONS
DATA
DEUTERIDES
DISTRIBUTION
ELEMENTS
ENERGY LEVELS
ENERGY RANGE
EV RANGE
EXCITED STATES
HALOGENS
INFORMATION
KINETICS
MECHANICS
MOLECULE COLLISIONS
NONMETALS
NUMERICAL DATA
OPTICAL PROPERTIES
PHYSICAL PROPERTIES
REACTION KINETICS
SCATTERING
400201* - Chemical & Physicochemical Properties
640304 - Atomic
Molecular & Chemical Physics- Collision Phenomena