Theoretical investigation of the relaxation of the bending mode of CH{sub 2}(X{sup ~}) by collisions with helium
- Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021 (United States)
We have earlier determined the dependence on the bending angle of the interaction of the methylene radical (CH{sub 2}) in its X{sup ~3}B{sub 1} state with He [L. Ma, P. J. Dagdigian, and M. H. Alexander, J. Chem. Phys. 136, 224306 (2012)]. By integration over products of the bending vibrational wave function, in a quantum close-coupled treatment we have calculated cross sections for the ro-vibrational relaxation of CH{sub 2}(X{sup ~}). Specifically, we find that cross sections for a loss of one vibrational quantum (v{sub b} = 2 → 1 and 1 → 0) are roughly two orders of magnitude smaller, and those for a loss of two vibrational quanta (v{sub b} = 2 → 0) four orders of magnitude smaller, than those for pure rotational relaxation. In addition, no clear cut dependence on the energy gap is seen.
- OSTI ID:
- 22423766
- Journal Information:
- Journal of Chemical Physics, Vol. 141, Issue 21; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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