Fine-structure-resolved rovibrational transitions for SO+H2 collisions

Cross sections and rate coefficients for sulfur monoxide (SO) + H2 collisions are calculated using a full six-dimensional (6D) potential energy surface (PES). The coupled states (CS) approximation is used to compute fine-structure resolved cross sections for rovibrational transitions between states with v = 0–2, where v is the vibrational quantum number of the SO molecule. The CS calculations for Δv = 1 are benchmarked against close-coupling (CC) results for spin-free interactions. For Δv = 0, the present fine-structure resolved CS results are benchmarked against existing CC results obtained with a rigid rotor approximation. In both cases, the agreement is found to be satisfactory, which suggests that the present results may provide reliable estimates for fine-structure resolved rovibrational transitions. These estimates are the first of their kind based on a full 6D PES. Rate coefficients are reported for temperatures between 10 K and 3000 K for both para- and ortho-H2 colliders. A comparison of the para-H2 rates with mass-scaled results for He shows substantial differences that may be important in astrophysical models.


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Work Title Fine-structure-resolved rovibrational transitions for SO+H2 collisions
Subtitle JCP Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
Open Access
  1. Teri J. Price
  2. R C. Forrey
  3. Benhui Yang
  4. Phillip C. Stancil
License In Copyright (Rights Reserved)
Work Type Article
  1. Journal of Chemical Physics
Publication Date December 23, 2020
Publisher Identifier (DOI)
Deposited July 25, 2022




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Work History

Version 1

  • Created
  • Added Accepted-SOH2.pdf
  • Added Creator Teri J. Price
  • Added Creator R C. Forrey
  • Added Creator Benhui Yang
  • Added Creator Phillip C. Stancil
  • Published
  • Updated