Theoretical calculations of XeF ground state kinetics

Journal Article · Tue Nov 15 04:00:00 EST 1988 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.455391· OSTI ID:7043557

Wilkins, R L

Rate coefficients were calculated for collision-induced vibrational and rotational relaxation and for dissociation processes that occur when He atoms collide with XeF(v, J) ground state molecules. These coefficients were calculated using a pairwise additive potential energy surface, which consists of a Morse function for the XeF interaction and Lennard-Jones functions for the HeXe and HeF interactions. It is found that the relaxation and dissociation processes occur by multiquanta (v,J) transitions and that dissociation is greatly enhanced if the total internal energy of the XeF molecule is near the rotationless dissociation limit of XeF. Dissociation can be achieved with either an initial high rotational quantum number and an initial low vibrational quantum number or vice versa. The effectiveness of initial energy in promoting dissociation increases in the order translation--rotation--vibration. Both the temperature and v dependences of the rate coefficients were calculated for collision-induced vibrational and rotational relaxation and dissociation. Strong vibration--rotation coupling in both vibrational relaxation and in the dissociation processes is demonstrated.

• Research Organization: The Aerophysics Laboratory, The Aerospace Corporation, El Segundo, California 90245
• OSTI ID: 7043557
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 89:10; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

42 ENGINEERING
420300* -- Engineering-- Lasers-- (-1989)
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
EXCIMER LASERS
EXCITED STATES
FLUIDS
FLUORIDES
FLUORINE COMPOUNDS
GAS LASERS
GASES
HALIDES
HALOGEN COMPOUNDS
HELIUM
KINETICS
LASERS
MOLECULE COLLISIONS
NONMETALS
RARE GAS COMPOUNDS
RARE GASES
ROTATIONAL STATES
VIBRATIONAL STATES
XENON COMPOUNDS
XENON FLUORIDES