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Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway

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dc.contributor.authorCybulski, Mateusz K.
dc.contributor.authorMcKay, David
dc.contributor.authorMacgregor, Stuart A.
dc.contributor.authorMahon, Mary F.
dc.contributor.authorWhittlesey, Michael K.
dc.date.accessioned2018-01-10T00:31:42Z
dc.date.available2018-01-10T00:31:42Z
dc.date.issued2017-02-01
dc.identifier248916817
dc.identifierda4583d4-520e-4184-8067-52d2a4fbd4cb
dc.identifier85008462070
dc.identifier.citationCybulski , M K , McKay , D , Macgregor , S A , Mahon , M F & Whittlesey , M K 2017 , ' Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway ' , Angewandte Chemie International Edition , vol. 56 , no. 6 , pp. 1515-1519 . https://doi.org/10.1002/anie.201610820en
dc.identifier.issn1521-3773
dc.identifier.otherBibtex: urn:9ead556706c38ff9d6f977998175d3ec
dc.identifier.otherORCID: /0000-0003-0362-7848/work/29608107
dc.identifier.urihttps://hdl.handle.net/10023/12449
dc.descriptionThe authors acknowledge the EPSRC (grant EP/J009962/1, DTA) for financial supporten
dc.description.abstractThe efficient and highly selective room temperature hydrodefluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3 , is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.
dc.format.extent5
dc.format.extent156969
dc.language.isoeng
dc.relation.ispartofAngewandte Chemie International Editionen
dc.subjectDensity functional calculationsen
dc.subjectHomogeneous catalysisen
dc.subjectHydrodefluorinationen
dc.subjectN-heterocyclic carbenesen
dc.subjectRutheniumen
dc.subjectQD Chemistryen
dc.subjectNDASen
dc.subject.lccQDen
dc.titleRoom temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathwayen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doi10.1002/anie.201610820
dc.description.statusPeer revieweden
dc.date.embargoedUntil2018-01-09
dc.identifier.urlhttp://onlinelibrary.wiley.com/doi/10.1002/anie.201610820/abstract#footer-support-infoen


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