Understanding selective oxidation of light alkanes over bio-mimetic Fe-MOFs by X-ray spectroscopy and diffraction

This proposal aims to explore the selective oxidation of light alkanes over novel Fe MOFs catalysts by a comprehensive suite of synchrotron techniques. Using Fe K-edge XAS and PXRD, we will selectively probe the different Fe active sites, while tracking the long-range stability of the MOF scaffold under operando conditions. The interest of investigating Fe-MOFs comes from their potential of mimicking the unique selectivity of Fe enzymes and thus holding promise for the selective oxidation of light alkanes, such as propane, and ideally methane. Similar Fe-MOFs structure with different active site locations (MOF node vs functionalized linker) will be studied, with variation in activation and reaction conditions, guided by laboratory test results. The resulting spectroscopic details on the active Fe sites and reactive intermediates are expected to unlock electronic/structural insights, allowing the design of improved MOF-based selective oxidation catalysts.