The potential of d6 non-noble metal NHC catalysts for carbon dioxide hydrogenation: group and row effects†
Abstract
A series of d6 non-noble transition metal complexes were designed and studied computationally for the hydrogenation of CO2 to formic acid. Catalysts with a metal of weak electronegativity and low oxidation state show improved potentials. Group VIB catalysts are predicted to be promising candidates, although less attention has been paid so far.