Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory

Joaquín López-Serrano, Simon B. Duckett, Agustí Lledós

Research output: Contribution to journalArticleResearchpeer-review

30 Citations (Scopus)

Abstract

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. Copyright © 2006 American Chemical Society.
Original languageEnglish
Pages (from-to)9596-9597
JournalJournal of the American Chemical Society
Volume128
Issue number30
DOIs
Publication statusPublished - 2 Aug 2006

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