C-C and C-H bond activation reactions in N-heterocyclic carbene complexes of ruthenium

Rodolphe F R Jazzar; Stuart A Macgregor; Mary F Mahon; Stephen P Richards; Michael K Whittlesey

doi:10.1021/ja012475b

C-C and C-H bond activation reactions in N-heterocyclic carbene complexes of ruthenium

J Am Chem Soc. 2002 May 8;124(18):4944-5. doi: 10.1021/ja012475b.

Authors

Rodolphe F R Jazzar¹, Stuart A Macgregor, Mary F Mahon, Stephen P Richards, Michael K Whittlesey

Affiliation

¹ Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK.

PMID: 11982343
DOI: 10.1021/ja012475b

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.