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Insights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reaction

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dc.contributor.authorIzquierdo, Frederic
dc.contributor.authorZinser, Caroline
dc.contributor.authorMinenkov, Yury
dc.contributor.authorCordes, David
dc.contributor.authorSlawin, Alexandra
dc.contributor.authorCavallo, Luigi
dc.contributor.authorNahra, Fady
dc.contributor.authorCazin, Catherine
dc.contributor.authorNolan, Steven Patrick
dc.date.accessioned2018-12-19T00:35:08Z
dc.date.available2018-12-19T00:35:08Z
dc.date.issued2018-02-07
dc.identifier251138591
dc.identifier2be57ba5-fe1a-4f71-9098-5e5a5991b873
dc.identifier85038390467
dc.identifier000424674000016
dc.identifier.citationIzquierdo , F , Zinser , C , Minenkov , Y , Cordes , D , Slawin , A , Cavallo , L , Nahra , F , Cazin , C & Nolan , S P 2018 , ' Insights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPr Cl , IPr Br ) complexes in the Suzuki-Miyaura reaction ' , ChemCatChem , vol. 10 , no. 3 , pp. 601-611 . https://doi.org/10.1002/cctc.201701279en
dc.identifier.issn1867-3899
dc.identifier.otherBibtex: urn:850f8d75a09a8edee097c59b9fa010da
dc.identifier.otherORCID: /0000-0002-5366-9168/work/39933583
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56861710
dc.identifier.urihttps://hdl.handle.net/10023/16713
dc.descriptionThe authors gratefully acknowledge the European Commission (EC) for funding through the seventh framework program SYNFLOW, the European Research Council (ERC) (Advanced Investigator Award “FUNCAT” to S. P. N.), The Engineering and Physical Sciences Research Council (EPSRC) and AstraZeneca (Studentship to C. M. Z.).en
dc.description.abstractThe influence of C4,5-halogenation on palladium N-heterocyclic carbene complexes and their activity in the Suzuki-Miyaura reaction have been investigated. Two [Pd(NHC)(cin)Cl] complexes bearing IPrCl and IPrBr ligands were synthesized. After determining electronic and steric properties of these ligands, their properties were compared to those of [Pd(IPr)(cin)Cl]. The three palladium complexes were studied using DFT calculations to delineate their behaviour in the activation step leading to the putative 12-electron active catalyst. Experimentally, their catalytic activity in the Suzuki-Miyaura reaction involving a wide range of coupling partners (30 entries) at low catalyst loading was studied.
dc.format.extent2703262
dc.language.isoeng
dc.relation.ispartofChemCatChemen
dc.subjectCatalysisen
dc.subjectNHCen
dc.subjectPalladiumen
dc.subjectSuzuki-Miyauraen
dc.subjectDFTen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleInsights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reactionen
dc.typeJournal articleen
dc.contributor.sponsorEuropean Commissionen
dc.contributor.sponsorEuropean Research Councilen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1002/cctc.201701279
dc.description.statusPeer revieweden
dc.date.embargoedUntil2018-12-19
dc.identifier.urlhttp://onlinelibrary.wiley.com/doi/10.1002/cctc.201701279/full#footer-support-infoen
dc.identifier.grantnumber246461en
dc.identifier.grantnumberFP7-227817 FUNCATen


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