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Inelastic Rate Coefficients for Collisions of C₄Hˉ with H₂
Monthly Notices of the Royal Astronomical Society
  • Christian Balança
  • Ernesto Quintas-Sánchez, Missouri University of Science and Technology
  • Richard Dawes, Missouri University of Science and Technology
  • Fabien Dumouchel
  • François Lique
  • Nicole Feautrier
Abstract

Carbon-chain anions were recently detected in the interstellar medium. These very reactive species are used as tracers of the physical and chemical conditions in a variety of astrophysical environments. However, the local thermodynamic equilibrium conditions are generally not fulfilled in these environments. Therefore, collisional as well as radiative rates are needed to accurately model the observed emission lines. We determine in this work the state-to-state rate coefficients of C4H- in collision with both ortho- and para-H2. A new ab initio 4D potential energy surface was computed using explicitly correlated coupled-cluster procedures. This surface was then employed to determine rotational excitation and de-excitation cross-sections and rate coefficients for the first 21 rotational levels (up to rotational level j1 = 20) using the close-coupling method, while the coupled-state approximation was used to extend the calculations up to j1 = 30. State-to-state rate coefficients were obtained for the temperature range 2-100 K. The differences between the ortho- and para-H2 rate coefficients are found to be small.

Department(s)
Chemistry
Keywords and Phrases
  • ISM: Abundances,
  • Molecular Data,
  • Molecular Processes,
  • Scattering
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2021 The Authors, All rights reserved.
Publication Date
11-1-2021
Publication Date
01 Nov 2021
Disciplines
Citation Information
Christian Balança, Ernesto Quintas-Sánchez, Richard Dawes, Fabien Dumouchel, et al.. "Inelastic Rate Coefficients for Collisions of C₄Hˉ with H₂" Monthly Notices of the Royal Astronomical Society Vol. 508 Iss. 1 (2021) p. 1148 - 1155 ISSN: 1365-2966; 0035-8711
Available at: http://works.bepress.com/richard_dawes/151/