Publication:
Quantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions

dc.contributor.coauthorGiri, K.
dc.contributor.coauthorLourderaj, U.
dc.contributor.coauthorRana, S.
dc.contributor.coauthorGonzález-Sánchez, L.
dc.contributor.coauthorDaria, A. M. Santa
dc.contributor.coauthorSathyamurthy, N.
dc.contributor.coauthorWester, R.
dc.contributor.coauthorGianturco, F. A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2025-12-31T08:23:39Z
dc.date.available2025-12-31
dc.date.issued2025
dc.description.abstractWe present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N- and C10H-, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed.
dc.description.fulltextYes
dc.description.harvestedfromManual
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.publisherscopeInternational
dc.description.readpublishN/A
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipEuropean Regional Development Fund; Castilla y León Supercomputing Center; Ministerio de Ciencia e Innovación; Universität Innsbruck
dc.identifier.doi10.1063/5.0292750
dc.identifier.embargoNo
dc.identifier.issue16
dc.identifier.pubmed41147505
dc.identifier.quartileQ2
dc.identifier.scopus2-s2.0-105019964718
dc.identifier.urihttps://doi.org/10.1063/5.0292750
dc.identifier.urihttps://hdl.handle.net/20.500.14288/31744
dc.identifier.volume163
dc.identifier.wos001604686500001
dc.keywordsEnergy transfer
dc.keywordsMolecular physics
dc.keywordsNegative ions
dc.keywordsPotential energy
dc.keywordsPotential energy surfaces
dc.keywordsRigid rotors
dc.language.isoN/A
dc.publisherAIP Publishing
dc.relation.affiliationKoç University
dc.relation.collectionKoç University Institutional Repository
dc.relation.ispartofJournal of Chemical Physics
dc.relation.openaccessYes
dc.rightsCC BY-NC-ND (Attribution-NonCommercial-NoDerivs)
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectChemistry
dc.subjectPhysics
dc.subjectMolecular and chemical
dc.titleQuantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions
dc.typeJournal Article
dspace.entity.typePublication
person.familyNameYurtsever
person.givenNameİsmail Ersin
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