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Rotational relaxation of HCO+ and DCO+ by collision with H2

dc.contributor.authorDENIS-ALPIZAR, Otoniel
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorSTOECKLIN, Thierry
hal.structure.identifierAMOR 2020
hal.structure.identifierLaboratoire d'Astrophysique de Bordeaux [Pessac] [LAB]
dc.contributor.authorDUTREY, Anne
hal.structure.identifierAMOR 2020
hal.structure.identifierLaboratoire d'Astrophysique de Bordeaux [Pessac] [LAB]
dc.contributor.authorGUILLOTEAU, Stéphane
dc.date.issued2020
dc.identifier.issn0035-8711
dc.description.abstractEnThe HCO + and DCO + molecules are commonly used as tracers in the interstellar medium. Therefore, accurate rotational rate coefficients of these systems with He and H 2 are crucial in non-local thermal equilibrium models. We determine in this work the rotational de-excitation rate coefficients of HCO + in collision with both para-and ortho-H 2 , and also analyse the isotopic effects by studying the case of DCO +. A new four-dimensional potential energy surface from ab initio calculations was developed for the HCO +-H 2 system, and adapted to the DCO +-H 2 case. These surfaces are then employed in close-coupling calculations to determine the rotational de-excitation cross-sections and rate coefficients for the lower rotational states of HCO + and DCO +. The new rate coefficients for HCO + + para-H 2 were compared with the available data, and a set of rate coefficients for HCO + + ortho-H 2 is also reported. The difference between the collision rates with ortho-and para-H 2 is found to be small. These calculations confirm that the use of the rate coefficients for HCO + + para-H 2 for estimating those for HCO + + ortho-H 2 as well as for DCO + + para-H 2 is a good approximation.
dc.language.isoen
dc.publisherOxford University Press (OUP): Policy P - Oxford Open Option A
dc.rights.urihttp://creativecommons.org/licenses/by/
dc.subject.enastrochemistry
dc.subject.enmolecular data
dc.subject.enmolecular processes
dc.subject.enscattering
dc.subject.enISM: molecules
dc.title.enRotational relaxation of HCO+ and DCO+ by collision with H2
dc.typeArticle de revue
dc.identifier.doi10.1093/mnras/staa2308
dc.subject.halPlanète et Univers [physics]/Astrophysique [astro-ph]
dc.subject.halChimie/Autre
bordeaux.journalMonthly Notices of the Royal Astronomical Society
bordeaux.page4276 - 4281
bordeaux.volume497
bordeaux.issue4
bordeaux.peerReviewedoui
hal.identifierhal-03044185
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03044185v1
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