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dc.contributor.authorDENIS-ALPIZAR, Otoniel
dc.contributor.authorSTOECKLIN, Thierry
hal.structure.identifierAMOR 2020
dc.contributor.authorDUTREY, Anne
hal.structure.identifierAMOR 2020
dc.contributor.authorGUILLOTEAU, S.
dc.date.accessioned2021-07-07T15:38:27Z
dc.date.available2021-07-07T15:38:27Z
dc.date.created2020-08
dc.date.issued2020-08-05
dc.identifier.issn0035-8711
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/95105
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 H2 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-H2, 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+-H2 system, and adapted to the DCO+-H2 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-H2 were compared with the available data, and a set of rate coefficients for HCO+ + ortho-H2 is also reported. The difference between the collision rates with ortho- and para-H2 is found to be small. These calculations confirm that the use of the rate coefficients for HCO+ + para-H2 for estimating those for HCO+ + ortho-H2 as well as for DCO+ + para-H2 is a good approximation. astrochemistry; molecular data; molecular processes; scattering; ISM: molecules
dc.language.isoen
dc.publisherOxford University Press (OUP): Policy P - Oxford Open Option A
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]
bordeaux.journalMonthly Notices of the Royal Astronomical Society
bordeaux.page4276-4281
bordeaux.volume497
bordeaux.hal.laboratoriesLaboratoire d'Astrophysique de Bordeaux (LAB) - UMR 5804*
bordeaux.issue4
bordeaux.institutionCNRS
bordeaux.institutionUniversité de Bordeaux
bordeaux.peerReviewedoui
hal.identifierhal-03065125
hal.version1
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03065125v1
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