title: N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp*(NHC)Ir=PMes*]: comparison of phosphinidene, imido, and carbene complexes.
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)IrCl(2)] (2) and [LiPHMes*].3 THF. 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, CH(2)) show that the NHC ligand acts as good sigma-donor/weak pi-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.
authors.affiliation: Department of Organic and Inorganic Chemistry, Faculty of Sciences, Vrije Universiteit, De Boelelaan 1083, NL-1081 HV, Amsterdam, The Netherlands.
authors.forename: Arjan T
authors.initials: AT
authors.lastname: Termaten
authors.forename: Marius
authors.initials: M
authors.lastname: Schakel
authors.forename: Andreas W
authors.initials: AW
authors.lastname: Ehlers
authors.forename: Martin
authors.initials: M
authors.lastname: Lutz
authors.forename: Anthony L
authors.initials: AL
authors.lastname: Spek
authors.forename: Koop
authors.initials: K
authors.lastname: Lammertsma