Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway

Mateusz K. Cybulski, David McKay, Stuart A. Macgregor, Mary F. Mahon, Michael K. Whittlesey

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)
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Abstract

The efficient and highly selective room temperature hydrodefluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.
Original languageEnglish
Pages (from-to)1515-1519
Number of pages5
JournalAngewandte Chemie International Edition
Volume56
Issue number6
Early online date9 Jan 2017
DOIs
Publication statusPublished - 1 Feb 2017

Keywords

  • Density functional calculations
  • Homogeneous catalysis
  • Hydrodefluorination
  • N-heterocyclic carbenes
  • Ruthenium

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