On the crucial role of isolated electronic states in the thermal reaction of ReC+ with dihydrogen

dc.contributor.authorLi, Jilai
dc.contributor.authorGeng, Caiyun
dc.contributor.authorWeiske, Thomas
dc.contributor.authorSchwarz, Helmut
dc.date.accessioned2021-06-10T06:35:42Z
dc.date.available2021-06-10T06:35:42Z
dc.date.issued2020-03-17
dc.description.abstractPresented here is that isolated, long-lived electronic states of ReC+ serve as the root cause for distinctly different reactivities of this diatomic ion in the thermal activation of dihydrogen. Detailed high-level quantum chemical calculations support the experimental findings obtained in the highly diluted gas phase using FT-ICR mass spectrometry. The origin for the existence of these long-lived excited electronic states and the resulting implications for the varying mechanisms of dihydrogen splitting are addressed.en
dc.description.sponsorshipDFG, 390540038, EXC 2008: Unifying Systems in Catalysis "UniSysCat"en
dc.description.sponsorshipTU Berlin, Open-Access-Mittel – 2020en
dc.identifier.eissn1521-3773
dc.identifier.issn1433-7851
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/13227
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-12022
dc.language.isoenen
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en
dc.subject.ddc547 Organische Chemiede
dc.subject.othergas-phase reactionsen
dc.subject.othermetal carbidesen
dc.subject.othernoble metalsen
dc.subject.otherrheniumen
dc.subject.othertransition statesen
dc.titleOn the crucial role of isolated electronic states in the thermal reaction of ReC+ with dihydrogenen
dc.typeArticleen
dc.type.versionpublishedVersionen
dcterms.bibliographicCitation.doi10.1002/anie.202001599en
dcterms.bibliographicCitation.issue24en
dcterms.bibliographicCitation.journaltitleAngewandte Chemieen
dcterms.bibliographicCitation.originalpublishernameWileyen
dcterms.bibliographicCitation.originalpublisherplaceNew York, NYen
dcterms.bibliographicCitation.pageend9376en
dcterms.bibliographicCitation.pagestart9370en
dcterms.bibliographicCitation.volume59en
tub.accessrights.dnbfreeen
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Chemie::FG Organische Chemiede
tub.affiliation.facultyFak. 2 Mathematik und Naturwissenschaftende
tub.affiliation.groupFG Organische Chemiede
tub.affiliation.instituteInst. Chemiede
tub.publisher.universityorinstitutionTechnische Universität Berlinen

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