Catalyst deactivation through "oxo-assembling"

Guido D. Frey, Wolfgang W. Schoeller, Eberhardt Herdtweck, Wolfgang A. Herrmann

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


The catalytic activity of acetato(1,3-diadamantylimidazolin-2-ylidene)[o-(di-o-tolylphosphino)benzyl]palladium(II) in the Heck reaction is reported. Under basic conditions of Ca(OH)2, a hydroxo complex was formed during the reaction. It converts under molecular oxygen conditions to a Pd4-oxo-hydroxo-peroxo-complex. Novel complexes were characterized by spectroscopy and solid state analysis. The stability and conformity of the Pd4-complex was rationalized by DFT-calculations.

Original languageEnglish
Pages (from-to)46-50
Number of pages5
JournalJournal of Organometallic Chemistry
StatePublished - 15 May 2016


  • Decomposition intermediate
  • Heck reaction
  • N-Heterocyclic carbene
  • Oxo-hydroxo-peroxo-complex
  • Phosphapalladacycle


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