THEORETICAL-STUDY OF METHANE ACTIVATION BY RE, OS, IR, AND PT

The activation of methane C-H bonds by the third-row transition metal atoms Re, Os, Ir, and Pt has been studied using relativistic effective core potentials (RECPs) and electron correlation. Activation and reac tion energies are calculated and compared to earlier results on dissoc iation of H-2 on the same atoms and of CH4 and H-2 on first- and secon d-row transition metal atoms.