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dc.contributor.authorNolan, Steven Patrick
dc.contributor.authorIzquierdo, Frederic
dc.contributor.authorZinser, Caroline
dc.contributor.authorMinenkov, Yury
dc.contributor.authorCordes, David B.
dc.contributor.authorSlawin, Alexandra
dc.contributor.authorCavallo, Luigi
dc.contributor.authorNahra, Fady
dc.contributor.authorCazin, Catherine S. J.
dc.date.accessioned2017-09-14T06:03:52Z
dc.date.available2017-09-14T06:03:52Z
dc.date.issued2017-12-19
dc.identifier.citationNolan SP, Izquierdo F, Zinser C, Minenkov Y, Cordes D, et al. (2017) Insights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reaction. ChemCatChem. Available: http://dx.doi.org/10.1002/cctc.201701279.
dc.identifier.issn1867-3880
dc.identifier.doi10.1002/cctc.201701279
dc.identifier.urihttp://hdl.handle.net/10754/625458
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.description.sponsorshipWe 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.). We thank the EPSRC National Mass Spectrometry Service Centre in Swansea for mass spectrometric analyses. We thank King Saud University and King Abdullah University of Science and Technology (Award No. OSR-2015-CCF-1974-03.)
dc.publisherWiley
dc.relation.urlhttp://onlinelibrary.wiley.com/doi/10.1002/cctc.201701279/abstract
dc.rightsThis is the peer reviewed version of the following article: Insights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reaction, which has been published in final form at http://doi.org/10.1002/cctc.201701279. This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
dc.titleInsights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC = IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reaction
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemCatChem
dc.eprint.versionPost-print
dc.contributor.institutionChemistry Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
dc.contributor.institutionDepartment of Chemistry, Ghent University, Campus Sterre, Bldg S3, Krijgslaan 281, 9000 Ghent, Belgium
dc.contributor.institutionConcept Life Sciences, Discovery Park, Ramsgate Road, Sandwich CT13 9FF (UK)
dc.contributor.institutionEaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST (UK)
kaust.personMinenkov, Yury
kaust.personCavallo, Luigi
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1k03ym
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1k0670
display.relations<b> Is Supplemented By:</b> <br/> <ul> <li><i>[Dataset]</i> <br/> . DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc1k03ym">10.5517/ccdc.csd.cc1k03ym</a> HANDLE: <a href="http://hdl.handle.net/10754/663818">10754/663818</a></li></ul><b> Is Supplemented By:</b> <br/> <ul> <li><i>[Dataset]</i> <br/> . DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc1k0670">10.5517/ccdc.csd.cc1k0670</a> HANDLE: <a href="http://hdl.handle.net/10754/663819">10754/663819</a></li></ul>
dc.date.published-online2017-12-19
dc.date.published-print2018-02-07


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