Role of vibrational--rotational coupling in V--V and V--R,T energy transfer

Journal Article · Mon Sep 01 00:00:00 EDT 1980 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.440412· OSTI ID:5095908

Coltrin, M E; Marcus, R A

The effect of neglecting vibrational--rotational coupling in energy transfer calculations is studied for collisions of HF (v=1-7) with HF (v=0). An analog of a ''classical path'' method is considered in which rigid-rotor trajectories are used to determine a time-dependent forcing term on the vibrational motion of each molecule. The results are compared with our quasiclassical calculations in which no such approximation was used. At higher vibrational states the rigid-rotor forced-oscillator model is found to predict substantially smaller V--R,T rate constants than those found in the exact study.

• Research Organization: Sandia National Laboratories, Albuquerque, New Mexico 87185
• OSTI ID: 5095908
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 73:5; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
COUPLING
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
HYDROFLUORIC ACID
HYDROGEN COMPOUNDS
INORGANIC ACIDS
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
ROTATIONAL STATES
VIBRATIONAL STATES