The isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-heterocyclic carbene) and its role in alkene and alkyne reductions using formic acid

Handle URI:
http://hdl.handle.net/10754/562690
Title:
The isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-heterocyclic carbene) and its role in alkene and alkyne reductions using formic acid
Authors:
Broggi, Julie; Jurčík, Václav; Songis, Olivier; Poater, Albert; Cavallo, Luigi ( 0000-0002-1398-338X ) ; Slawin, Alexandra M. Z.; Cazin, Catherine S J
Abstract:
The [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.
KAUST Department:
KAUST Catalysis Center (KCC); Physical Sciences and Engineering (PSE) Division; Chemical Science Program
Publisher:
American Chemical Society
Journal:
Journal of the American Chemical Society
Issue Date:
27-Mar-2013
DOI:
10.1021/ja311087c
Type:
Article
ISSN:
00027863
Sponsors:
The 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.
Is Supplemented By:
Broggi, 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; DOI:10.5517/ccyb73l; HANDLE:http://hdl.handle.net/10754/624687
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

Full metadata record

DC FieldValue Language
dc.contributor.authorBroggi, Julieen
dc.contributor.authorJurčík, Václaven
dc.contributor.authorSongis, Olivieren
dc.contributor.authorPoater, Alberten
dc.contributor.authorCavallo, Luigien
dc.contributor.authorSlawin, Alexandra M. Z.en
dc.contributor.authorCazin, Catherine S Jen
dc.date.accessioned2015-08-03T11:01:37Zen
dc.date.available2015-08-03T11:01:37Zen
dc.date.issued2013-03-27en
dc.identifier.issn00027863en
dc.identifier.doi10.1021/ja311087cen
dc.identifier.urihttp://hdl.handle.net/10754/562690en
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.en
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.en
dc.publisherAmerican Chemical Societyen
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 aciden
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical Science Programen
dc.identifier.journalJournal of the American Chemical Societyen
dc.contributor.institutionEaStCHEM School of Chemistry, University of St Andrews, St-Andrews KY16 9ST, United Kingdomen
dc.contributor.institutionInstitut de Química Computacional, Departament de Química, Universitat de Girona, E-17071 Girona, Spainen
kaust.authorCavallo, Luigien
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/ccyb73len
dc.relation.isSupplementedByDOI:10.5517/ccyb73len
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624687en
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.