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 language | English |
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Pages (from-to) | 3577-3582 |
Number of pages | 6 |
Journal | Chemistry - A European Journal |
Volume | 9 |
Issue number | 15 |
DOIs | |
Publication status | Published - 4 Aug 2003 |
Externally published | Yes |
Keywords
- Carbenes
- Density functional calculations
- Iridium
- P ligands
ASJC Scopus subject areas
- Catalysis
- Organic Chemistry