Palladium round trip in the Negishi coupling of trans- [PdMeCl(PMePh <inf>2</inf>)<inf>2</inf>] with ZnMeCl: An experimental and DFT study of the transmetalation step

Beatriz Fuentes, Max García-Melchor, Agustí Lledós, Feliu Maseras, Juan A. Casares, Gregori Ujaque, Pablo Espinet

Research output: Contribution to journalArticleResearchpeer-review

56 Citations (Scopus)

Abstract

Gets there in the end: The large rate difference of the slow reductive elimination and the fast transmetalationretrotransmetalation steps allows Pd to visit complexes 3, 2, and 1 many times before coupling from 2 takes place. This fast recurrence of transformations offers many opportunities for the formation of undesired homocoupling products in Negishi reactions by statistically accessible "mistaken" retrotransmetalation events in the multitude of processes preceding the slower irreversible reductive elimination of the coupling product. (Figure Presented) © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Original languageEnglish
Pages (from-to)8596-8599
JournalChemistry - A European Journal
Volume16
Issue number29
DOIs
Publication statusPublished - 2 Aug 2010

Keywords

  • C-C coupling
  • Density functional calculations
  • Homogeneous catalysis
  • Kinetics
  • Negishi coupling

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