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 addn. of IMes to Ru(PPh3)3(CO)H2 at room temp. in the presence of an alkene, C-H bond activation is obsd. instead. The thermodn. of these C-C and C-H cleavage reactions have been probed using d. functional theory.
| Original language | English |
|---|---|
| Pages (from-to) | 4944-4945 |
| Number of pages | 2 |
| Journal | Journal of the American Chemical Society |
| Volume | 124 |
| Issue number | 18 |
| Publication status | Published - 2002 |
Keywords
- DFT theor. calcn. of carbon-carbon and carbon-hydrogen bond activation reactions in heterocyclic carbene complexes of ruthenium)
- imidazolylidene ruthenium carbene complex prepn crystal mol structure
- Density functional theory (DFT theor. calcn. of carbon-carbon and carbon-hydrogen bond activation reactions in heterocyclic carbene complexes of ruthenium)
- carbon hydrogen bond activation imidazolylidene ruthenium phosphine carbonyl complex
- Bond (carbon-carbon
- PRP (Properties)
- PREP (Preparation) (DFT theor. calcn. of carbon-carbon and carbon-hydrogen bond activation reactions in heterocyclic carbene complexes of ruthenium)
- Crystal structure
- DFT carbon hydrogen bond activation imidazolylidene ruthenium hydride complex
- Carbene complexes Role
- activation
- Bond (carbon-hydrogen
- Molecular structure (of imidazolylidene ruthenium hydride complexes)
- SPN (Synthetic preparation)