Publication:
Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments

dc.contributor.coauthorGonzález-Sánchez, Lola
dc.contributor.coauthorde la Fuente, Jorge Alonso
dc.contributor.coauthorSanz-Sanz, Cristina
dc.contributor.coauthorWester, Roland
dc.contributor.coauthorGianturco, Francesco A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.otherDepartment of Chemistry
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-12-29T09:41:21Z
dc.date.issued2023
dc.description.abstractWe report quantum calculations involving the dynamics of rotational energy-transfer processes, by collision with He atoms in interstellar environments, of the title molecular species which share the presence of the CN backbone and are considered of importance in those environments. The latter structural feature is taken to be especially relevant for prebiotic chemistry and for its possible role in the processing of the heterocyclic rings of RNA and DNA nucleobases in the interstellar space. We carry out ab initio calculations of their interaction potentials with He atoms and further obtain the state-to-state rotationally inelastic cross sections and rate coefficients over the relevant range of temperatures. The similarities and differences between such species and other similar partners which have been already detected are analyzed and discussed for their significance on internal state populations in interstellar space for the two title molecular radicals.
dc.description.indexedbyWoS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.issue44
dc.description.openaccessAll Open Access
dc.description.openaccessHybrid Gold Open Access
dc.description.publisherscopeInternational
dc.description.sponsorsFAG acknowledges the support of the Computing Center of Innsbruck University where part of the present calculations were carried out. L. G.-S. acknowledges the financial support by Ministerio de Ciencia e Innovación (Spain) MCIN/AEI/10.13039/501100011033 (Ref. PID2020-113147GA-I00 and PID2021-122839NB-I00) and C.S-S. further acknowledges the financial support by Ministerio de Ciencia e Innovación (Spain) Ref. PID2021-122549NB-C22.
dc.description.volume25
dc.identifier.doi10.1039/d3cp03316c
dc.identifier.eissn1463-9084
dc.identifier.issn1463-9076
dc.identifier.quartileQ1
dc.identifier.scopus2-s2.0-85176102277
dc.identifier.urihttps://doi.org/10.1039/d3cp03316c
dc.identifier.urihttps://hdl.handle.net/20.500.14288/23591
dc.identifier.wos1096266000001
dc.keywordsInterstellar
dc.keywordsHCN
dc.keywordsOrigin
dc.keywordsHE
dc.languageen
dc.publisherRoyal Society of Chemistry
dc.relation.grantnoMinisterio de Ciencia e Innovación, MICINN, (MCIN/AEI/10.13039/501100011033, PID2020-113147GA-I00, PID2021-122549NB-C22, PID2021-122839NB-I00)
dc.sourcePhysical Chemistry Chemical Physics
dc.subjectChemistry
dc.subjectPhysical
dc.subjectPhysics
dc.subjectAtomic
dc.subjectMolecular
dc.subjectChemical
dc.titleCollision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments
dc.typeJournal article
dspace.entity.typePublication
local.contributor.kuauthorYurtsever, Ersin
relation.isOrgUnitOfPublication035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb

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