Abstract
Thermolysis of the ruthenium complex [Ru(Me)Cp*(PMe 2Ph) 2] ( 1) (Cp* = η 5-C 5Me 5) in benzene gives methane and [Ru(Ph)Cp*(PMe 2Ph) 2] ( 2), which is converted slowly to ▪( 3) through the loss of benzene. 2 was structurally characterised by single-crystal X-ray diffraction experiments. DFT calculations were performed in order to understand the behaviour of the ruthenium complex 1 towards inter- or intra-molecular C–H bond activation reactions.
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