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Hoveyda-Grubbs catalyst analogues bearing the derivatives of N-phenylpyrrol in the carbene ligand - structure, stability, activity and unique ruthenium-phenyl interactions

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cris.lastimport.scopus2024-02-12T20:19:18Z
dc.abstract.enWe have synthesized a series of N-phenylpyrrole and N-phenylindole carbenes and used them as ruthenium-ligating moieties in the synthesis of Hoveyda-Grubbs catalyst derivatives. We show that most of these complexes are difficult to synthesize and unstable apart from the N-phenylpyrrole-2,6-diisopropylphenyl ruthenium complex and its perbrominated derivative. These two systems are almost completely inactive in ring-closing metathesis at room temperature and become active only at 80 [degree]C. DFT, SAPT0 and DLPNO-CCSD(T) calculations suggest that the rarely occurring phenyl-ruthenium interactions are responsible for the very slow initiation of these precatalysts at low temperatures.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorGrudzień, K.
dc.contributor.authorSmoleń, M.
dc.contributor.authorGajda, Roman
dc.contributor.authorTrzaskowski, Bartosz
dc.contributor.authorWoźniak, Krzysztof
dc.contributor.authorGrela, Karol
dc.date.accessioned2024-01-25T03:29:21Z
dc.date.available2024-01-25T03:29:21Z
dc.date.issued2017
dc.description.financeNie dotyczy
dc.description.number35
dc.description.volume46
dc.identifier.doi10.1039/C7DT02180A
dc.identifier.issn1477-9226
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/108614
dc.identifier.weblinkhttp://dx.doi.org/10.1039/C7DT02180A
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofDalton Transactions
dc.relation.pages11790-11799
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleHoveyda-Grubbs catalyst analogues bearing the derivatives of N-phenylpyrrol in the carbene ligand - structure, stability, activity and unique ruthenium-phenyl interactions
dc.typeJournalArticle
dspace.entity.typePublication