Theoretical investigation of the relaxation of the bending mode of CH₂(X̃) by collisions with helium.

J Chem Phys

Department of Chemistry and Biochemistry and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021, USA.

Published: December 2014

AI Article Synopsis

  • The study investigates how the bending angle affects the interaction of the methylene radical (CH2) in its excited state with helium.
  • Using a quantum close-coupled method, the researchers calculated the cross sections for ro-vibrational relaxation.
  • The findings show that the cross sections for losing vibrational quanta are significantly smaller compared to those for rotational relaxation, with no clear dependence on the energy gap.

Article Abstract

We have earlier determined the dependence on the bending angle of the interaction of the methylene radical (CH2) in its X̃³B₁ 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 2(X̃). Specifically, we find that cross sections for a loss of one vibrational quantum (v(b) = 2 → 1 and 1 → 0) are roughly two orders of magnitude smaller, and those for a loss of two vibrational quanta (v(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.

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Source
http://dx.doi.org/10.1063/1.4902004DOI Listing

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