Oxygen-promoted C-H bond activation at palladium

Margaret L. Scheuermann, David W. Boyce, Kyle A. Grice, Werner Kaminsky, Stefan Stoll, William B. Tolman, Ole Swang, Karen I. Goldberg

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


[Pd(P(Ar)(tBu)2)2] (1, Ar=naphthyl) reacts with molecular oxygen to form PdII hydroxide dimers in which the naphthyl ring is cyclometalated and one equivalent of phosphine per palladium atom is released. This reaction involves the cleavage of both C-H and O-O bonds, two transformations central to catalytic aerobic oxidizations of hydrocarbons. Observations at low temperature suggest the initial formation of a superoxo complex, which then generates a peroxo complex prior to the C-H activation step. A transition state for energetically viable C-H activation across a Pd-peroxo bond was located computationally.

Original languageEnglish (US)
Pages (from-to)6492-6495
Number of pages4
JournalAngewandte Chemie - International Edition
Issue number25
StatePublished - Jun 16 2014


  • C-H activation
  • hydroxylation
  • palladium
  • peroxo
  • superoxo

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