Understanding of the Fe(II) active site in mixed-metal MOFs for the conversion of methane to methanol

Selective oxidation of methane to methanol (MTM) represents a Holy Grail in catalysis, with enormous industrial potential and energetic/environmental impact. In this context, Fe-active sites in Metal Organic Frameworks (MOFs) are emerging as promising candidates, mimicking the unique selectivity of Fe-enzymes. Herein, we propose a combined in situ XAS/XES study targeting Fe(II) sites in novel FexNi3-xBTP2 MOFs, capable to form Fe(IV)=O species active towards MTM, using N2O as the oxo-transfer agent The resulting electronic/structural insights on Fe active sites and reactive intermediates, in combination with parallel soft-XAS studies are expected to unlock unprecedent spectroscopic details, paving the way to the rational design of improved MOF-based catalysts for the selective oxidation of key hydrocarbons.