Palladium-catalyzed hydrogenation: detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory.
Pd(PEt3)2(OTf)2, acting as an in situ source of Pd(PEt3)2, reacts with an alkyne and hydrogen via phosphine loss to form the detectable hydride-containing species Pd(PEt3)2(H)(CHPhCH2Ph), cis- and trans-Pd(PEt3)2(H)(CPh=CHPh), and Pd2(PEt3)3(H)(CHPhCH2Ph)2+, which map onto the reaction scheme predicted by density functional theory.
López-Serrano
Joaquín
J
Department of Chemistry, University of York, Heslington, YO10 5DD York, United Kingdom.
Duckett
Simon B
SB
Lledós
Agustí
A