Relative contributions of ΔJ = 2 and ΔJ = 1 transitions in rotationally inelastic collisions of polar molecules

Michael R. Verter, Herschel Albert Rabitz

Research output: Contribution to journalArticle

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Abstract

Previously developed first- and second-order semiclassical perturbation theory is employed to treat rotationally inelastic collisions between pairs of linear molecules. The dependence of the cross sections σ (ΔJ = 1) and σ(ΔJ = 2) on the rotational constants, dipole and quadrupole moments, and reduced masses of the colliding molecules is investigated. It is shown that the rotational constant has a dominant role in determining the relative magnitude of the cross sections ΔJ = 2 compared to ΔJ = 1. Much of the observed cross section behavior can be explained through collisional resonance effects. The conditions for significant ΔJ = 2 transitions are discussed and illustrated with rotational transitions in the molecules HF, HCl, DCl, HBr, OCS, HCN, ClCN, and BrCN. Each of these molecules interacted with a thermal bath of molecules of the same species. Results are also presented for the systems HCl:Cl and DCl:Cl where the first molecule in each pair is the observed species. The resulting cross section ratios σ(ΔJ = 2)/σ(ΔJ = 1) in these studies ranged from 0.14 for HF to 0.73 for DCl:HCl.

Original languageEnglish (US)
Pages (from-to)3816-3824
Number of pages9
JournalThe Journal of chemical physics
DOIs
StatePublished - Jan 1 1973

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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