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

PDF Url : ADA191398

Report Date : 01 Mar 1988

Pagination or Media Count : 42

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 XeF(v,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 XeF(v) 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