Photodissociation of CS from Excited Rovibrational Levels

R. J. Pattillo, R. Cieszewski, P. C. Stancil, Robert C. Forrey, J. F. Babb, J. F. McCann, B. M. McLaughlin

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.

Original languageEnglish (US)
Article number10
JournalAstrophysical Journal
Volume858
Issue number1
DOIs
StatePublished - May 1 2018

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photodissociation
cross section
cross sections
electronics
interstellar radiation
Boltzmann distribution
radiation distribution
configuration interaction
destruction
astrophysics
dipole moments
wavelength
ground state
thresholds
photons
curves
wavelengths
temperature
distribution
radiation

All Science Journal Classification (ASJC) codes

  • Astronomy and Astrophysics
  • Space and Planetary Science

Cite this

Pattillo, R. J., Cieszewski, R., Stancil, P. C., Forrey, R. C., Babb, J. F., McCann, J. F., & McLaughlin, B. M. (2018). Photodissociation of CS from Excited Rovibrational Levels. Astrophysical Journal, 858(1), [10]. https://doi.org/10.3847/1538-4357/aab5b9
Pattillo, R. J. ; Cieszewski, R. ; Stancil, P. C. ; Forrey, Robert C. ; Babb, J. F. ; McCann, J. F. ; McLaughlin, B. M. / Photodissociation of CS from Excited Rovibrational Levels. In: Astrophysical Journal. 2018 ; Vol. 858, No. 1.
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Pattillo, RJ, Cieszewski, R, Stancil, PC, Forrey, RC, Babb, JF, McCann, JF & McLaughlin, BM 2018, 'Photodissociation of CS from Excited Rovibrational Levels', Astrophysical Journal, vol. 858, no. 1, 10. https://doi.org/10.3847/1538-4357/aab5b9

Photodissociation of CS from Excited Rovibrational Levels. / Pattillo, R. J.; Cieszewski, R.; Stancil, P. C.; Forrey, Robert C.; Babb, J. F.; McCann, J. F.; McLaughlin, B. M.

In: Astrophysical Journal, Vol. 858, No. 1, 10, 01.05.2018.

Research output: Contribution to journalArticle

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AB - Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.

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Pattillo RJ, Cieszewski R, Stancil PC, Forrey RC, Babb JF, McCann JF et al. Photodissociation of CS from Excited Rovibrational Levels. Astrophysical Journal. 2018 May 1;858(1). 10. https://doi.org/10.3847/1538-4357/aab5b9