N-heterocyclic carbene functionalized iridium phosphinidene complex [Cp*(NHC)Ir = PMes*]: Comparison of phosphinidene, imido, and carbene complexes

Arjan T. Termaten, Marius Schakel, Andreas W. Ehlers, Martin Lutz, Anthony L. Spek, Koop Lammertsma

Research output: Contribution to journalArticlepeer-review

78 Citations (Scopus)

Abstract

The novel phosphinidene complex [Cp*(NHC)Ir = PMes*] (3; NHC = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) was prepared in high yield from [Cp*(NHC)IrCl2] (2) and [LiPHMes*] · 3THF. It represents the first example of an NHC ligated transition metal phosphinidene complex. The X-ray crystal structure for 3 is also reported. DFT calculations on the N-heterocyclic carbene containing parent complexes [Cp(NHC)Ir = E] (E = PH, NH, CH2) show that the NHC ligand acts as good σ-donor/ weak π-acceptor ligand and forms strong Ir-C(NHC) single bonds. The Ir=E double bonds result from strong triplet-triplet interactions between [Cp(NHC)Ir] and E.

Original languageEnglish
Pages (from-to)3577-3582
Number of pages6
JournalChemistry - A European Journal
Volume9
Issue number15
DOIs
Publication statusPublished - 4 Aug 2003
Externally publishedYes

Keywords

  • Carbenes
  • Density functional calculations
  • Iridium
  • P ligands

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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