LeHavreV1, France, Analysis, bibRecord, 000564

Fine and hyperfine excitation of NH and ND by He: on the importance of calculating rate coefficients of isotopologues.

Identifieur interne : 000564 ( France/Analysis ); précédent : 000563; suivant : 000565

Fine and hyperfine excitation of NH and ND by He: on the importance of calculating rate coefficients of isotopologues.

Auteurs : Fabien Dumouchel [France] ; Jacek Kłos ; Robert Toboła ; Aurore Bacmann ; Sébastien Maret ; Pierre Hily-Blant ; Alexandre Faure ; François Lique

Source :

The Journal of chemical physics [ 1089-7690 ] ; 2012.

RBID : pubmed:22998261

Abstract

The NH and ND molecules play an important role in interstellar nitrogen chemistry. Accurate modeling of their abundance in space requires the calculation of rates for collisional excitation by the most abundant interstellar species. We calculate rate coefficients for the fine and hyperfine excitation of NH and ND by He. State-to-state rate coefficients between the first levels of NH and ND were obtained for temperatures ranging from 5 to 150 K. Fine structure resolved rate coefficients present a strong propensity rule in favor of Δj = ΔN transitions, as expected from theoretical considerations. The Δj = ΔF(1) = ΔF propensity rule is observed for the hyperfine transitions of both isotopologues. The two sets of fine structure resolved rate coefficients are compared in detail and we find significant differences between the two isotopologues. This comparison shows that specific calculations are necessary for the deuterated isotopologues of any hydride. The new rate coefficients will help significantly in the interpretation of NH and ND terahertz spectra observed with current and future telescopes, and enable these molecules to become a powerful astrophysical tool for studying the nitrogen chemistry.

DOI: 10.1063/1.4753423
PubMed: 22998261

Affiliations:

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pubmed:22998261

Le document en format XML

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<front><div type="abstract" xml:lang="en">The NH and ND molecules play an important role in interstellar nitrogen chemistry. Accurate modeling of their abundance in space requires the calculation of rates for collisional excitation by the most abundant interstellar species. We calculate rate coefficients for the fine and hyperfine excitation of NH and ND by He. State-to-state rate coefficients between the first levels of NH and ND were obtained for temperatures ranging from 5 to 150 K. Fine structure resolved rate coefficients present a strong propensity rule in favor of Δj = ΔN transitions, as expected from theoretical considerations. The Δj = ΔF(1) = ΔF propensity rule is observed for the hyperfine transitions of both isotopologues. The two sets of fine structure resolved rate coefficients are compared in detail and we find significant differences between the two isotopologues. This comparison shows that specific calculations are necessary for the deuterated isotopologues of any hydride. The new rate coefficients will help significantly in the interpretation of NH and ND terahertz spectra observed with current and future telescopes, and enable these molecules to become a powerful astrophysical tool for studying the nitrogen chemistry.</div>
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Fine and hyperfine excitation of NH and ND by He: on the importance of calculating rate coefficients of isotopologues.

Fine and hyperfine excitation of NH and ND by He: on the importance of calculating rate coefficients of isotopologues.

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Abstract

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