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Understanding the mechanism of direct visible-light-activated [2+2] cycloadditions mediated by Rh and Ir photocatalysts: combined computational and spectroscopic studies

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dc.contributor.authorHoimin Jung-
dc.contributor.authorMannkyu Hong-
dc.contributor.authorMarchini, Marianna-
dc.contributor.authorVilla, Marco-
dc.contributor.authorSteinlandt, Philipp S.-
dc.contributor.authorHuang, Xiaoqiang-
dc.contributor.authorHemming, Marcel-
dc.contributor.authorMeggers, Eric-
dc.contributor.authorCeroni, Paola-
dc.contributor.authorJiyong Park-
dc.contributor.authorMu-Hyun Baik-
dc.date.accessioned2021-08-17T01:50:09Z-
dc.date.accessioned2021-08-17T01:50:09Z-
dc.date.available2021-08-17T01:50:09Z-
dc.date.available2021-08-17T01:50:09Z-
dc.date.created2021-08-09-
dc.date.issued2021-07-28-
dc.identifier.issn2041-6520-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/10114-
dc.description.abstractThe mechanism of [2 + 2] cycloadditions activated by visible light and catalyzed by bis-cyclometalated Rh(iii) and Ir(iii) photocatalysts was investigated, combining density functional theory calculations and spectroscopic techniques. Experimental observations show that the Rh-based photocatalyst produces excellent yield and enantioselectivity whereas the Ir-photocatalyst yields racemates. Two different mechanistic features were found to compete with each other, namely the direct photoactivation of the catalyst-substrate complex and outer-sphere triplet energy transfer. Our integrated analysis suggests that the direct photocatalysis is the inner working of the Rh-catalyzed reaction, whereas the Ir catalyst serves as a triplet sensitizer that activates cycloaddition via an outer-sphere triplet excited state energy transfer mechanism.-
dc.language영어-
dc.publisherROYAL SOC CHEMISTRY-
dc.titleUnderstanding the mechanism of direct visible-light-activated [2+2] cycloadditions mediated by Rh and Ir photocatalysts: combined computational and spectroscopic studies-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000664676200001-
dc.identifier.scopusid2-s2.0-85111133565-
dc.identifier.rimsid76145-
dc.contributor.affiliatedAuthorHoimin Jung-
dc.contributor.affiliatedAuthorMannkyu Hong-
dc.contributor.affiliatedAuthorJiyong Park-
dc.contributor.affiliatedAuthorMu-Hyun Baik-
dc.identifier.doi10.1039/d1sc02745j-
dc.identifier.bibliographicCitationCHEMICAL SCIENCE, v.12, no.28, pp.9673 - 9681-
dc.relation.isPartOfCHEMICAL SCIENCE-
dc.citation.titleCHEMICAL SCIENCE-
dc.citation.volume12-
dc.citation.number28-
dc.citation.startPage9673-
dc.citation.endPage9681-
dc.type.docTypeArticle-
dc.description.journalClass1-
dc.description.journalClass1-
dc.description.isOpenAccessN-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalResearchAreaChemistry-
dc.relation.journalWebOfScienceCategoryChemistry, Multidisciplinary-
dc.subject.keywordPlusLEWIS-ACID CATALYSIS-
dc.subject.keywordPlusPHOTOCYCLOADDITION REACTIONS-
dc.subject.keywordPlusPHOTOREDOX CATALYSIS-
dc.subject.keywordPlusCOMPLEXES-
Appears in Collections:
Center for Catalytic Hydrocarbon Functionalizations(분자활성 촉매반응 연구단) > 1. Journal Papers (저널논문)
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