A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex:  Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process

The synthesis and X-ray crystal structure of a new (S,C,S)-based carbene ruthenium complex (2) are presented. The thermally promoted rearrangement of this new complex to complex 3 involves a reverse α-hydride migration, which has been investigated by DFT calculations.