Due to their crystalline structure and porosity, Metal–organic frameworks (MOFs) are an appealing choice as support materials for catalytic moieties. To demonstrate this, our synthesis team synthesized two single-site heterogeneous catalysts by immobilizing vanadium oxide (VOx) species on zirconium- and hafnium-based MOFs, Zr-NU-1000 and Hf-MOF-808, respectively. We then used a DFT-based approach to study the structural features of these VOx-incorporated MOFs, or V-MOFs, and probed their reactivity towards selective oxidation of benzyl alcohol to benzaldehyde. Additionally, the structure and reactivity of palladium-based catalysts anchored to acid-functionalized hafnium-based MOFs were examined, and it was found that the acid-functionalized MOF nodes enhanced catalytic activity.
Summary of the Project
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