Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 130, Issue 17, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3126247
Keywords
argon; atom-molecule collisions; bound states; isomerism; master equation; ozone; potential energy surfaces; radiative lifetimes; rotational-vibrational energy transfer
Funding
- Deutsche Forschungsgemeinschaft
- Fonds der Chemischen Industrie
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The vibrational energy transfer in Ar-O-3 collisions is investigated within the breathing sphere approximation. Ozone wave functions are calculated with a simplified potential energy surface and used in the close coupling scattering equations. Inelastic transition probabilities are determined for all bound states of O-3. Energy transfer is studied in one asymmetric, (OOO)-O-16-O-16-O-18, and two symmetric isotopomers, (OOO)-O-16-O-16-O-16 and (OOO)-O-16-O-18-O-16. Two measures of the energy transfer are considered: Microcanonical deactivation for a fixed collision energy and thermal vibrational relaxation described by the master equation at a fixed temperature. In either case, the energy transfer is symmetry independent near the dissociation threshold and the sensitivity to symmetry grows as the ozone energy decreases.
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