Accession Number:

ADA191398

Title:

Theoretical Calculations of XeF Ground State Kinetics.

Descriptive Note:

Technical rept.,

Corporate Author:

AEROSPACE CORP EL SEGUNDO CA AEROPHYSICS LAB

Personal Author(s):

• Wilkins, Roger L.

Report Date:

1988-03-01

Pagination or Media Count:

42.0

Abstract:

State-to-state rate coefficients were calculated for collision-induced vibrational-to-translational V-T and rotational-to-translational R-T relaxation, and for dissociation processes that occur when XeFv,J molecules collide with He atoms. Three-dimensional classical trajectories of the collision dynamics of these processes were calculated by means of 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. On the basis of trajectory calculations, it is predicted that V-T relaxation and R-T relaxation occur by multiquanta transitions, and that dissociation occurs from all the v-levels by the formation of XeF molecules in unstable rotational levels above the centrifugal barrier. As the XeFv molecules are carried to higher v-levels by the V-T relaxation processes, they are more easily dissociated. Both the temperature and v-dependences of the state-to-state rate coefficients were calculated for V-T and R-T relaxation and collision-induced dissociation. Keywords Dissociation, Excimer lasers, Rate coefficients, Rotational relaxation, Vibrational relaxation, Kinetics, Xenon, Fluorine compounds.

Descriptors:

• *FLUORINE COMPOUNDS
• *KINETICS
• *XENON
• ADDITIVES
• ATOMS
• BARRIERS
• CENTRIFUGAL FIELDS
• COEFFICIENTS
• COLLISIONS
• COMPUTATIONS
• DISSOCIATION
• DYNAMICS
• EXCIMERS
• GROUND STATE
• LASERS
• MOLECULES
• MORSE CODE
• POTENTIAL ENERGY
• RATES
• RELAXATION
• ROTATION
• SURFACES
• THEORY
• TRAJECTORIES
• VIBRATION

Subject Categories:

• Inorganic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE