Reactivity Predictors and Composition-Function Relations in Redox Catalysis By Metal Oxides

Kinetic, isotopic measurements and in-situ spectroscopy, taken together with DFT-derived energy calculations, on materials with known structure led to a mechanism involving C-H activation from molecular instead of dissociated alkanols and to HAE values as an accurate descriptor of redox reactivity over diverse compositions for both methanol and ethanol reactants.