Literature DB >> 19425780

Quantum mechanical study of vibrational energy transfer in Ar-O3 collisions: influence of symmetry.

M V Ivanov1, S Yu Grebenshchikov, R Schinke.   

Abstract

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, (16)O(16)O(18)O, and two symmetric isotopomers, (16)O(16)O(16)O and (16)O(18)O(16)O. 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.

Entities:  

Year:  2009        PMID: 19425780     DOI: 10.1063/1.3126247

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry.

Authors:  Rudolph A Marcus
Journal:  Proc Natl Acad Sci U S A       Date:  2013-06-28       Impact factor: 11.205

2.  Unexpected variations in the triple oxygen isotope composition of stratospheric carbon dioxide.

Authors:  Aaron A Wiegel; Amanda S Cole; Katherine J Hoag; Elliot L Atlas; Sue M Schauffler; Kristie A Boering
Journal:  Proc Natl Acad Sci U S A       Date:  2013-08-12       Impact factor: 11.205

  2 in total

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