title: C-C and C-H bond activation reactions in N-heterocyclic carbene complexes of ruthenium.
abstract: Thermolysis of Ru(PPh3)3(CO)H2 with the N-heterocyclic carbene bis(1,3-(2,4,6-trimethylphenyl)imidazol-2-ylidene) (IMes) results in C-C activation of an Ar-CH3 bond in one of the mesityl rings of the carbene ligand. Upon addition of IMes to Ru(PPh3)3(CO)H2 at room temperature in the presence of an alkene, C-H bond activation is observed instead. The thermodynamics of these C-C and C-H cleavage reactions have been probed using density functional theory.
authors: Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK.
authors: Rodolphe F R
authors: RF
authors: Jazzar
authors: Stuart A
authors: SA
authors: Macgregor
authors: Mary F
authors: MF
authors: Mahon
authors: Stephen P
authors: SP
authors: Richards
authors: Michael K
authors: MK
authors: Whittlesey