INS studies on selective oxidation of CH4 to MeOH over a functional MOF

Direct partial-oxidation of methane to methanol under ambient conditions is a highly attractive but challenging target due to the robust C–H bonds of methane. We have integrated the photosensitizer and mono-iron sites into porous MOF scaffolds to fabricate a new multifunctional photo-catalyst for methane oxidation with an exceptional MeOH selectivity of 100% under flow conditions at 298 K. We request 3 days on TOSCA to study the binding dynamics of CH4 and the cleavage of its C-H bond over the highly efficient catalyst (ZrMOF-FeRu). The proposed study will investigate the vibrational spectroscopy of the catalyst, adsorption of guest CH4 molecules and any possible reaction intermediates on active sites. This study aims to reveal the role of single iron sites in the binding and activation to guest CH4 molecules, giving direct insights into the selective oxidation of CH4.