Reaction Mechanism

We characterized reactants, products, intermediates, and transition states (TS) of all possible mechanisms for the Martin's reaction, and constructed the reaction energy profile (REP) for each one. This is  for both mono- and bis-phosphine complexes three pathways (classical transmetallation, with PhO-, and with NaPhO). The six REPs were plotted together in Figure  \ref{423796}. It permits seeing the differences between the reaction pathways in global manner.