Protic NHC Iridium Complexes with β-H Reactivity-Synthesis, Acetonitrile Insertion, and Oxidative Self-Activation

Mark K. Rong, Andrei Chirila, David Franciolus, Martin Lutz, Martin Nieger, Andreas W. Ehlers, J. Chris Slootweg, Koop Lammertsma

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

Protic NHC iridium complexes, obtained from the corresponding azido-phenylene-isocyanide precursor complexes, were investigated for ligand-based reactivity. Under redox-neutral conditions, acetonitrile inserts into the N-H bonds to provide κ2-NHC-imidoyl ligand-based complexes, while under reductive conditions the complex also expels one N-H proton to provide the corresponding deprotonated analogues. Using zinc as a reductor activates the NHC-iridium complex to form an asymmetric bimetallic iridium hydrido complex, in which two anionic N-deprotonated NHCs bridge the bimetallic core. X-ray crystal structures are reported for the azido-phenylene-isocyanide precursor complex, the protic NHC complex, and the asymmetric bimetallic iridium hydride complex. Density functional computations and a QTAIM analysis of the bimetallic iridium hydrido complex are provided.

Original languageEnglish
Pages (from-to)4543-4553
Number of pages11
JournalOrganometallics
Volume38
Issue number23
DOIs
Publication statusPublished - 9 Dec 2019

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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