TY - JOUR
T1 - C-C and C-H bond activation reactions in N-heterocyclic carbene complexes of ruthenium
AU - Jazzar, Rodolphe F.R.
AU - Macgregor, Stuart A.
AU - Mahon, Mary F.
AU - Richards, Stephen P.
AU - Whittlesey, Michael K.
PY - 2002/5/8
Y1 - 2002/5/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0037042290&partnerID=8YFLogxK
U2 - 10.1021/ja012475b
DO - 10.1021/ja012475b
M3 - Article
C2 - 11982343
AN - SCOPUS:0037042290
SN - 0002-7863
VL - 124
SP - 4944
EP - 4945
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 18
ER -