Mode-specific vibrational predissociation dynamics of (HCl) 2 via the free and bound HCl stretch overtones
- Award ID(s):
- 1566064
- PAR ID:
- 10151463
- Publisher / Repository:
- American Institute of Physics
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 152
- Issue:
- 19
- ISSN:
- 0021-9606
- Page Range / eLocation ID:
- Article No. 194301
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
Abstract Hydrogen chloride (HCl) is a key repository of chlorine in the interstellar medium. Accurate determinations of its abundance are critical to assessing the chlorine elemental abundance and constraining stellar nucleosynthesis models. To aid in modeling recent and future observations of HCl rovibrational spectra, we present cross sections and rate coefficients for collisions between HCl and molecular hydrogen. Transitions between rovibrational states of HCl are considered for temperatures ranging from 10 to 3000 K. Cross sections are computed using a full dimensional quantum close-coupling (CC) method and a reduced dimensionality coupled-states (CS) approach. The CS results, benchmarked against the CC results, are used with a recoupling approach to calculate hyperfine-resolved rate coefficients for rovibrational transitions of HCl induced by H2. The rate coefficients will allow for a better determination of the HCl abundance in the interstellar medium and an improved understanding of interstellar chlorine chemistry. We demonstrate the utility of the new rate coefficients in a nonthermodynamic equilibrium radiative transfer model applied to observations of HCl rovibrational transitions in a circumstellar shell.more » « less
An official website of the United States government
