On the crucial role of isolated electronic states in the thermal reaction of ReC+ with dihydrogen
dc.contributor.author | Li, Jilai | |
dc.contributor.author | Geng, Caiyun | |
dc.contributor.author | Weiske, Thomas | |
dc.contributor.author | Schwarz, Helmut | |
dc.date.accessioned | 2021-06-10T06:35:42Z | |
dc.date.available | 2021-06-10T06:35:42Z | |
dc.date.issued | 2020-03-17 | |
dc.description.abstract | Presented 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.sponsorship | DFG, 390540038, EXC 2008: Unifying Systems in Catalysis "UniSysCat" | en |
dc.description.sponsorship | TU Berlin, Open-Access-Mittel – 2020 | en |
dc.identifier.eissn | 1521-3773 | |
dc.identifier.issn | 1433-7851 | |
dc.identifier.uri | https://depositonce.tu-berlin.de/handle/11303/13227 | |
dc.identifier.uri | http://dx.doi.org/10.14279/depositonce-12022 | |
dc.language.iso | en | en |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | en |
dc.subject.ddc | 547 Organische Chemie | de |
dc.subject.other | gas-phase reactions | en |
dc.subject.other | metal carbides | en |
dc.subject.other | noble metals | en |
dc.subject.other | rhenium | en |
dc.subject.other | transition states | en |
dc.title | On the crucial role of isolated electronic states in the thermal reaction of ReC+ with dihydrogen | en |
dc.type | Article | en |
dc.type.version | publishedVersion | en |
dcterms.bibliographicCitation.doi | 10.1002/anie.202001599 | en |
dcterms.bibliographicCitation.issue | 24 | en |
dcterms.bibliographicCitation.journaltitle | Angewandte Chemie | en |
dcterms.bibliographicCitation.originalpublishername | Wiley | en |
dcterms.bibliographicCitation.originalpublisherplace | New York, NY | en |
dcterms.bibliographicCitation.pageend | 9376 | en |
dcterms.bibliographicCitation.pagestart | 9370 | en |
dcterms.bibliographicCitation.volume | 59 | en |
tub.accessrights.dnb | free | en |
tub.affiliation | Fak. 2 Mathematik und Naturwissenschaften::Inst. Chemie::FG Organische Chemie | de |
tub.affiliation.faculty | Fak. 2 Mathematik und Naturwissenschaften | de |
tub.affiliation.group | FG Organische Chemie | de |
tub.affiliation.institute | Inst. Chemie | de |
tub.publisher.universityorinstitution | Technische Universität Berlin | en |