Transition-metal complexes containing (C-C)-> M sigma-interactions have potential applications in both catalysis and the activation and cleavage of C-C bonds. Fully characterising the bonding and interactions in complexes containing such (C-C)-> M sigma-interactions is vital to understand their chemical behaviour. As a result a high-resolution experimental X-ray charge density study has been undertaken on [Rh(Binor-S)(PCy3)][HCB11Me11] (Binor-S = 1,2,4,5,6,8-dimetheno-s-indacene) which contains a (C-C)-> Rh interaction. The data are analysed using Bader's "Atoms in Molecules" (AIM) approach with particular attention paid to the interactions around the rhodium centre. The results provide clear evidence for the sigma(C-C)-> Rh interaction in the solid-state which is classified as a weak covalent interaction. These results are supported by theoretical calculations.
- EXPERIMENTAL ELECTRON-DENSITY
- METAL ALKYL COMPLEXES
- SILVER(I) ACETYLENE COMPLEXES
- CARBON BOND ACTIVATION
- RAY-DIFFRACTION DATA
- AGOSTIC INTERACTIONS
- 120 K