Possible Formation and Destruction of the OD+ Ions in the Interstellar Medium

dc.contributor.authorBulut, Niyazi
dc.contributor.authorRoncero, Octavio
dc.contributor.authorLique, Francois
dc.date.accessioned2026-08-12T17:35:33Z
dc.date.issued2020
dc.departmentFırat Üniversitesi
dc.description.abstractThe OH+ ion is an important constituent of the interstellar medium (ISM). It can be used as a probe of cosmic ray and X-ray ionization rates in molecular clouds as well as a tracer of oxygen chemistry. The deuterated variant of OH+, the OD+ ion, may also be present in the ISM despite the fact that it has not been detected yet. In this paper, we aim at providing quantitative insight into the OD+ chemistry and at accurately studying the possible formation and destruction processes of OD+ in the ISM. We study the formation and destruction of OD+ through the O+ + HD -> OD+ + H and OH+ + D <-> OD+ + H reactions that can occur in diffuse ISM. Reactive rate constants have been obtained from exact state-to-state quantum wave packet calculations for temperatures ranging from 10 to 1000 K. The new theoretical data are validated through a detailed comparison with available experimental data. The formation of OD+ is found to be less efficient than that of OH+. As a first application, the OD+/OH+ abundance ratio in ISM has been evaluated from a simple astrochemical model, and we found that this ratio can be larger than D/H abundance ratio only at low temperatures. These calculations may help in an astrochemical search of OD+ in cold ISM.
dc.description.sponsorshipFrench-Spanish collaborative project PICS [PIC2017FR7]; European Research Council (Consolidator Grant COLLEXISM) [811363]; Institut Universitaire de France, and the Programme National Physique et Chimie du Milieu Interstellaire (PCMI) of CNRS/INSU; INC/INP; CEA; CNES; MICIU [FIS2017-83473-C2]; RES Computational Grants [ACCT-2019-3-0004, AECT-2020-1-0003]; GENCI-CINES [A0070411036]; European Research Council (ERC) [811363] Funding Source: European Research Council (ERC)
dc.description.sponsorshipWe acknowledge the French-Spanish collaborative project PICS (ref. PIC2017FR7). F.L. acknowledges financial support from the European Research Council (Consolidator Grant COLLEXISM, Grant Agreement 811363), the Institut Universitaire de France, and the Programme National Physique et Chimie du Milieu Interstellaire (PCMI) of CNRS/INSU with INC/INP cofunded by CEA and CNES. O.R. acknowledges the support from MICIU under Grant No. FIS2017-83473-C2 and for computing time at Finisterrae (CESGA) and Marenostrum (BSC) under RES Computational Grants ACCT-2019-3-0004 and AECT-2020-1-0003. N.B. acknowledges the computing facilities of TUBITAKTRUBA. This work was performed using HPC resources from GENCI-CINES (Grant A0070411036)
dc.identifier.doi10.1021/acs.jpca.0c05021
dc.identifier.endpage6561
dc.identifier.issn1089-5639
dc.identifier.issn1520-5215
dc.identifier.issue32
dc.identifier.orcid0000-0002-0664-2536
dc.identifier.orcid0000-0003-2863-7700
dc.identifier.orcid0000-0002-8871-4846
dc.identifier.pmid32687711
dc.identifier.scopus2-s2.0-85089610093
dc.identifier.scopusqualityQ2
dc.identifier.startpage6552
dc.identifier.urihttps://doi.org/10.1021/acs.jpca.0c05021
dc.identifier.urihttps://hdl.handle.net/11508/57587
dc.identifier.volume124
dc.identifier.wosWOS:000562942600018
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry A
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260511
dc.subjectPotential-Energy Surfaces
dc.subjectTemperature-Dependence
dc.subjectBranching Ratio
dc.subjectQuantum
dc.subjectDynamics
dc.subjectO+
dc.titlePossible Formation and Destruction of the OD+ Ions in the Interstellar Medium
dc.typeArticle

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