We thoroughly investigated methane activation by a large set of d10 transition metal complexes. We limited ourselves to small model systems that allow us to build up a fundamental understanding of the chemistry involved in the oxidative addition process, and especially the role of the metal center. We considered not only the widely-used palladium, but also its group 10 congeners nickel and platinum, as well as the iso-electronic group 9 metal anions Co�, Rh� and Ir� and the group 11 cations Cu+, Ag+ and Au+. We have also included mono- and bisligated species ML and ML2, with L = NH3, PH3 or CO. Using the chemically intuitive Activation Strain model, we are able to explain the characteristics of the energy profiles in terms of the intrinsic properties of the reactants. Our aim is to rationally design catalysts with the desired efficiency and selectivity.

Catalytic methane activation by <i>d</i><sup>10</sup> transition metal complexes

245th National Meeting (2013)

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Catalytic methane activation by d10 transition metal complexes

Catalytic methane activation by d¹⁰ transition metal complexes