N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp*(NHC)Ir=PMes*]: comparison of phosphinidene,imido, and carbene complexes |
| |
Authors: | Termaten Arjan T Schakel Marius Ehlers Andreas W Lutz Martin Spek Anthony L Lammertsma Koop |
| |
Institution: | Department of Organic and Inorganic Chemistry, Faculty of Sciences, Vrije Universiteit, De Boelelaan 1083, NL-1081 HV, Amsterdam, The Netherlands. |
| |
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. |
| |
Keywords: | carbenes density functional calculations iridium P ligands |
本文献已被 PubMed 等数据库收录! |
|