Afficher la notice abrégée

Low temperature rate constants for the N(4S) + CH(X2{\Pi}r) reaction. Implications for N2 formation cycles in dense interstellar clouds

hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorDARANLOT, Julien
dc.contributor.authorHU, Xixi
hal.structure.identifierInstitute of Theoretical and Computational Chemistry
dc.contributor.authorXIE, Changjian
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorLOISON, Jean-Christophe
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorCAUBET, Philippe
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorCOSTES, Michel
hal.structure.identifierAMOR 2013
dc.contributor.authorWAKELAM, Valentine
hal.structure.identifierInstitute of Theoretical and Computational Chemistry
dc.contributor.authorXIE, Daiqian
dc.contributor.authorGUOD, Hua
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorHICKSON, Kevin M.
dc.date.created2013-07-03
dc.date.issued2013
dc.identifier.issn1463-9076
dc.description.abstractEnRate constants for the potentially important interstellar N(4S) + CH(X2{\Pi}r) reaction have been measured in a continuous supersonic flow reactor over the range 56 K < T < 296 K using the relative rate technique employing both the N(4S) + OH(X2{\Pi}i) and N(4S) + CN(X2{\Sigma}+) reactions as references. Excess concentrations of atomic nitrogen were produced by the microwave discharge method upstream of the Laval nozzle and CH and OH radicals were created by the in-situ pulsed laser photolysis of suitable precursor molecules. In parallel, quantum dynamics calculations of the title reaction have been performed based on accurate global potential energy surfaces for the 13A' and 13A" states of HCN and HNC, brought about through a hierarchical construction scheme. Both adiabatic potential energy surfaces are barrierless, each one having two deep potential wells suggesting that this reaction is dominated by a complex-forming mechanism. The experimental and theoretical work are inexcellent agreement, predicting a positive temperature dependence of the rate constant, in contrast to earlier experimental work at low temperature. The effects of the new low temperature rate constants on interstellar N2 formation are tested using a dense cloud model, yielding N2 abundances 10-20 % lower than previously predicted.
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enLow temperature rate constants for the N(4S) + CH(X2{\Pi}r) reaction. Implications for N2 formation cycles in dense interstellar clouds
dc.typeArticle de revue
dc.identifier.doi10.1039/c3cp52535j
dc.subject.halPhysique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
dc.subject.halPlanète et Univers [physics]/Astrophysique [astro-ph]/Cosmologie et astrophysique extra-galactique [astro-ph.CO]
dc.subject.halPhysique [physics]/Astrophysique [astro-ph]/Cosmologie et astrophysique extra-galactique [astro-ph.CO]
dc.identifier.arxiv1307.0935
bordeaux.journalPhysical Chemistry Chemical Physics
bordeaux.page13888
bordeaux.volume15
bordeaux.issue33
bordeaux.peerReviewedoui
hal.identifierhal-00842639
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00842639v1
bordeaux.COinSctx_ver=Z39.88-2004&amp;rft_val_fmt=info:ofi/fmt:kev:mtx:journal&amp;rft.jtitle=Physical%20Chemistry%20Chemical%20Physics&amp;rft.date=2013&amp;rft.volume=15&amp;rft.issue=33&amp;rft.spage=13888&amp;rft.epage=13888&amp;rft.eissn=1463-9076&amp;rft.issn=1463-9076&amp;rft.au=DARANLOT,%20Julien&amp;HU,%20Xixi&amp;XIE,%20Changjian&amp;LOISON,%20Jean-Christophe&amp;CAUBET,%20Philippe&amp;rft.genre=article


Fichier(s) constituant ce document

FichiersTailleFormatVue

Il n'y a pas de fichiers associés à ce document.

Ce document figure dans la(les) collection(s) suivante(s)

Afficher la notice abrégée