Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.
Identifieur interne : 000430 ( France/Analysis ); précédent : 000429; suivant : 000431Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.
Auteurs : François Lique [France] ; Ghofran Werfelli ; Philippe Halvick ; Thierry Stoecklin ; Alexandre Faure ; Laurent Wiesenfeld ; Paul J. DagdigianSource :
- The Journal of chemical physics [ 1089-7690 ] ; 2013.
English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Carbon, Hydrogen, Ions.
- Quantum Theory.
Abstract
Spin-orbit (de-)excitation of C(+)((2)P) 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(+) (2)P3∕2 → (2)P1∕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 (2)P3∕2 → (2)P1∕2 line at 158 μm by up to 30% for typical diffuse interstellar cloud conditions.
DOI: 10.1063/1.4807311
PubMed: 23742482
Affiliations:
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pubmed:23742482Le document en format XML
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Dagdigian</name></author></analytic><series><title level="j">The Journal of chemical physics</title><idno type="eISSN">1089-7690</idno><imprint><date when="2013" type="published">2013</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Carbon (chemistry)</term><term>Hydrogen (chemistry)</term><term>Ions (chemistry)</term><term>Quantum Theory</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Carbon</term><term>Hydrogen</term><term>Ions</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Quantum Theory</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Spin-orbit (de-)excitation of C(+)((2)P) 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(+) (2)P3∕2 → (2)P1∕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 (2)P3∕2 → (2)P1∕2 line at 158 μm by up to 30% for typical diffuse interstellar cloud conditions.</div></front></TEI><affiliations><list><country><li>France</li></country><region><li>Haute-Normandie</li><li>Région Normandie</li></region><settlement><li>Le Havre</li></settlement></list><tree><noCountry><name sortKey="Dagdigian, Paul J" sort="Dagdigian, Paul J" uniqKey="Dagdigian P" first="Paul J" last="Dagdigian">Paul J. Dagdigian</name><name sortKey="Faure, Alexandre" sort="Faure, Alexandre" uniqKey="Faure A" first="Alexandre" last="Faure">Alexandre Faure</name><name sortKey="Halvick, Philippe" sort="Halvick, Philippe" uniqKey="Halvick P" first="Philippe" last="Halvick">Philippe Halvick</name><name sortKey="Stoecklin, Thierry" sort="Stoecklin, Thierry" uniqKey="Stoecklin T" first="Thierry" last="Stoecklin">Thierry Stoecklin</name><name sortKey="Werfelli, Ghofran" sort="Werfelli, Ghofran" uniqKey="Werfelli G" first="Ghofran" last="Werfelli">Ghofran Werfelli</name><name sortKey="Wiesenfeld, Laurent" sort="Wiesenfeld, Laurent" uniqKey="Wiesenfeld L" first="Laurent" last="Wiesenfeld">Laurent Wiesenfeld</name></noCountry><country name="France"><region name="Région Normandie"><name sortKey="Lique, Francois" sort="Lique, Francois" uniqKey="Lique F" first="François" last="Lique">François Lique</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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