Intermolecular versus intramolecular C–H activation reaction in the thermolysis of [Ru(Me)Cp*(PMe2Ph)2] (Cp*=η5-C5Me5): formation and crystallographic characterisation of [Ru(Ph)Cp*(PMe2Ph)2]

C–H activation of benzene with Cp∗Ru(CO)2CH3

“…The Ru-C 6 H 5 distance in (3) is very similar to that found in Cp * Ru(PMe 2 Ph) 2 C 6 H 5 (2.104 Å) [5]. The angles given in Table 1 are all bigger for the phenyl compound as compared with the methyl compound, which may be due to steric crowding at the metal centre.…”

“…A possible mechanism for this reaction involves loss of CO, oxidative addition of a benzene C-D bond, elimination of CH 3 D and then re-coordination of CO. Alternatively, the mechanism could involve a concerted process, as has been suggested by others for related systems [5,6]. There is also the possibility that the methane is generated from one of the methyl groups on the pentamethylcyclopentadienyl ring.…”

“…Diversi et al reported the thermolysis (48 h, 120°C) of Cp * Ru(PMe 2 Ph) 2 CH 3 in benzene to give Cp * Ru(PMe 2 Ph) 2 C 6 H 5 [5]. Oxgaard and Goddard have carried out calculations on the system TpRu(CO)(MeCN)C 6 H 5 which catalyzes hydroarylation via C-H activation [6].…”