C−C and C−H Bond Activation Reactions in N-Heterocyclic Carbene Complexes of Ruthenium

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 a...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2002-05, Vol.124 (18), p.4944-4945
Main Authors: Jazzar, Rodolphe F. R, Macgregor, Stuart A, Mahon, Mary F, Richards, Stephen P, Whittlesey, Michael K
Format: Article
Language:English
Subjects:
Chemical reactivity
Chemistry
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Organic chemistry
Organic compounds
Organometalloidal and organometallic compounds
Physics
Reactivity and mechanisms
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary: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.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja012475b