Halogen exchange by reaction of CpRu(Cl)(PPh3)2 with MeC(O)X (X = Br, I) and its mechanistic study

• The ligand exchange between CpRu(Cl)(PPh3)2 and MeC(O)X successfully takes place.
• The reaction mechanism is investigated by DFT calculation and experiments.
• A radical species is proposed to participate in the reaction.

The treatment of CpRu(Cl)(PPh3)2 with MeC(O)X offers a very convenient procedure for the synthesis of CpRu(X)(PPh3)2. The proposed mechanism involves an intermediate produced by the concerted liberation of PPh3 by the incoming MeC(O)X and the subsequent subtraction of the X atom by the Ru atom to form a radical pair.

The treatment of CpRu(Cl)(PPh3)2 with MeC(O)X offers a very convenient procedure for the synthesis of CpRu(X)(PPh3)2. The proposed mechanism involves an intermediate produced by the concerted liberation of PPh3 by the incoming MeC(O)X and the subsequent subtraction of the X atom by the Ru atom to form a radical pair.Figure optionsDownload as PowerPoint slide