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

by J. Broggi, V. Jurcik, O. Songis, A. Poater, L. Cavallo, A.M.Z. Slawin, C.S.J. Cazin
Year: 2013 ISSN: 00027863

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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
J. Broggi, V. Jurcik, O. Songis, A. Poater, L. Cavallo, A.M.Z. Slawin, C.S.J. Cazin
J. Am. Chem. Soc. 135, 4588, (2013)

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)(PCy3)], 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.

 

 

 10.1021/ja311087c

Keywords

Computational studies Multiple bonds N-heterocyclic carbenes Palladium complexes Tandem process Tandem sequence