Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene-Containing Tungsten Dimer [CpW(CO)2(IMe)]2

March 5, 2012

Journal Article

Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene-Containing Tungsten Dimer [CpW(CO)2(IMe)]2

Abstract

The thermal W-W bond homolysis in [CpW(CO)2(IMe)]2 (IMe = 1,3-dimethylimidazol-2-ylidene) was investigated and was found to occur to a large extent compared to other tungsten dimers such as [CpW(CO)3]2. CpW(CO)2(IMe)H was prepared by heating a solution of [IMeH]+[CpW(CO)2(PMe3)]-, and exists in solution as a mixture of interconverting cis and trans isomers. The carbene rotation in CpW(CO)2(IMe)H was explored by DFT calculations, and low enthalpic barriers (

Revised: April 6, 2012 | Published: March 5, 2012

Citation

van der Eide E.F., T.L. Liu, D.M. Camaioni, E.D. Walter, and R.M. Bullock. 2012. Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene-Containing Tungsten Dimer [CpW(CO)2(IMe)]2. Organometallics 31, no. 5:1775-1789. PNNL-SA-84309. doi:10.1021/om201162g