Solvation effects in oxidative addition reaction of Methyliodide to Pt(II) complex: A theoretical study with RISM-SCF method

Solvation effects in SN2-type oxidative addition of MeI to PtMe2(NH3)2 was theoretically investigated with RISM-SCF. Though the reaction may not occur in gas phase because of the high barrier due to dissociation of iodide anion from methyl group, the reaction easily occurs in nitromethane because the iodide anion is stabilized by nitromethane solvent.