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Spin-orbit quenching of the C + ( 2 P ) ion by collisions with para - and ortho -H 2

Authors :
Alexandre Faure
Laurent Wiesenfeld
Paul J. Dagdigian
Philippe Halvick
Ghofran Werfelli
Thierry Stoecklin
François Lique
Laboratoire Ondes et Milieux Complexes (LOMC)
Centre National de la Recherche Scientifique (CNRS)-Université Le Havre Normandie (ULH)
Normandie Université (NU)-Normandie Université (NU)
Institut des Sciences Moléculaires (ISM)
Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC)
Institut de Planétologie et d'Astrophysique de Grenoble (IPAG )
Observatoire des Sciences de l'Univers de Grenoble (OSUG)
Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut national des sciences de l'Univers (INSU - CNRS)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut national des sciences de l'Univers (INSU - CNRS)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)
Source :
Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2013, 138 (20), pp.204314. ⟨10.1063/1.4807311⟩
Publication Year :
2013
Publisher :
HAL CCSD, 2013.

Abstract

International audience; Spin-orbit (de-)excitation of C+(2P) by collisions with H2, a key process for astrochemistry, is investigated. Quantum-mechanical calculations of collisions between C+ ions and para- and ortho-H2 have been performed in order to determine the cross section for the C+ 2P3/2 → 2P1/2 fine-structure transition at low and intermediate energies. The calculation are based on new ab initio potential energy surfaces obtained using the multireference configuration interaction method. Corresponding rate coefficients were obtained for temperatures ranging from 5 to 500 K. These rate coefficients are compared to previous estimations, and their impact is assessed through radiative transfer computation. They are found to increase the flux of the 2P3/2 → 2P1/2 line at 158 μm by up to 30% for typical diffuse interstellar cloud conditions.

Details

Language :
English
ISSN :
00219606 and 10897690
Database :
OpenAIRE
Journal :
Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2013, 138 (20), pp.204314. ⟨10.1063/1.4807311⟩
Accession number :
edsair.doi.dedup.....e47a30566b7df7d005ac17922a91d971
Full Text :
https://doi.org/10.1063/1.4807311⟩