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Quantum mechanical study of vibrational energy transfer in Ar–O3 collisions: Influence of symmetry

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Ivanov,  Mikhail Vasilievich
Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

Grebenshchikov,  Sergej Yuri
Max Planck Society;

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Schinke,  Reinhard
Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

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Citation

Ivanov, M. V., Grebenshchikov, S. Y., & Schinke, R. (2009). Quantum mechanical study of vibrational energy transfer in Ar–O3 collisions: Influence of symmetry. Journal of Chemical Physics, 130, 174311-1-174311-10. doi:10.1063/1.3126247.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0029-12FF-1
Abstract
The vibrational energy transfer in Ar–O3 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 O3. Energy transfer is studied in one asymmetric, 16O16O18O, and two symmetric isotopomers, 16O16O16O and 16O18O16O. 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.