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dc.contributor.authorBroggi, Julie
dc.contributor.authorJurčík, Václav
dc.contributor.authorSongis, Olivier
dc.contributor.authorPoater, Albert
dc.contributor.authorCavallo, Luigi
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorCazin, Catherine S. J.
dc.date.accessioned2015-08-03T11:01:37Z
dc.date.available2015-08-03T11:01:37Z
dc.date.issued2013-01-14
dc.identifier.issn00027863
dc.identifier.doi10.1021/ja311087c
dc.identifier.urihttp://hdl.handle.net/10754/562690
dc.description.abstractThe [Pd(SIPr)(PCy3)] complex efficiently promotes a tandem process involving dehydrogenation of formic acid and hydrogenation of C-C multiple bonds using H2 formed in situ. The isolation of a key catalytic hydridoformatopalladium species, [Pd{OC(O)H}(H)(IPr)(PCy 3)], is reported. The complex plays a key role in the Pd(0)-mediated formation of hydrogen from formic acid. Mechanistic and computational studies delineate the operational role of the palladium complex in this efficient tandem sequence. © 2013 American Chemical Society.
dc.description.sponsorshipThe EPSRC and the Royal Society (University Research Fellowship to C.S.J.C.), the Spanish MICINN (Ramon y Cajal Contract RYC-2009-05226 to A.P.), the EC (Career Integration Grant CIG09-GA-2011-293900 to A.P.), and Generalitat de Catalunya (BE Fellowship 2011BE100793 to A.P.) are acknowledged for financial support. Umicore AG is thanked for a generous gift of materials. We thank KAUST graphic artist Ekaterina Mikhaylova for the cover art.
dc.publisherAmerican Chemical Society (ACS)
dc.titleThe isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-heterocyclic carbene) and its role in alkene and alkyne reductions using formic acid
dc.typeArticle
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentChemical Science Program
dc.identifier.journalJournal of the American Chemical Society
dc.contributor.institutionEaStCHEM School of Chemistry, University of St Andrews, St-Andrews KY16 9ST, United Kingdom
dc.contributor.institutionInstitut de Química Computacional, Departament de Química, Universitat de Girona, E-17071 Girona, Spain
kaust.personCavallo, Luigi
dc.relation.isSupplementedByBroggi, J., Jurčík, V., Songis, O., Poater, A., Cavallo, L., Slawin, A. M. Z., & Cazin, C. S. J. (2014). CCDC 873769: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccyb73l
dc.relation.isSupplementedByDOI:10.5517/ccyb73l
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624687
dc.date.published-online2013-01-14
dc.date.published-print2013-03-27


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