Physical interpretation of the collinear reactive scattering resonances in the F+HD, H/sub 2/, and D/sub 2/ systems

Journal Article · Sun Aug 15 04:00:00 EDT 1982 · J. Chem. Phys.; (United States)

OSTI ID:5097693

Babamov, V K; Kuppermann, A

A simple model is presented that explains the main characteristics of the low energy resonances found in accurate quantum mechanical scattering calculations of collinear reactive collisions of the type F+XY..-->..FX+Y, where X and Y are H or D atoms. The wave function of the resonance complex can be approximately described by a product of a function of the F--XY distance and a vibrationally adiabatic function of the X--Y distance. The corresponding vibrational eigenvalues of the XY diatom as a function of the F--XY distance form an attractive, effective one-dimensional potential for the F--XY motion that supports a quasibound state. The resulting resonance is broadened by its interaction with the reagent and product scattering states. The resonance energies given by the model are in good agreement with those obtained by exact scattering calculations for the F+HD, H/sub 2/, and D/sub 2/ systems.

• Research Organization: Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125
• OSTI ID: 5097693
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 77:4; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
BOUND STATE
CHEMICAL REACTIONS
COLLISIONS
COMPLEXES
DEUTERIDES
DEUTERIUM COMPOUNDS
EIGENVALUES
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUORINE
FUNCTIONS
HALOGENS
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
MATHEMATICAL MODELS
MECHANICS
NONMETALS
POTENTIALS
QUANTUM MECHANICS
RESONANCE
SCATTERING
VIBRATIONAL STATES
WAVE FUNCTIONS