Uncommon reversible guest-induced metal-hemilabile linker bond dynamics in MOF MFM-300(Sc) was unraveled to switch on/switch off catalytic open metal sites. The catalytic activity of this MOF with non-permanent open metal sites was demonstrated using a model Strecker hydrocyanation reaction as a proof-of-concept. Conclusively, the catalytic activity was evidenced to be fully reversible, preserving the conversion performance and structure integrity of MFM-300(Sc) over multiple cycles. These experimental findings were corroborated by quantum-calculations that revealed a reaction mechanism driven by the Sc-open metal sites. This discovery paves the way towards the design of new effective and easily regenerable heterogeneous MOF catalysts integrating switchable metal sites.
Keywords: Catalysis; Density Functional Theory; MOFs; Metal-Hemilabile Linker Bond Dynamics; Reaction Mechanism.
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