Benchmark Acetylene Binding Affinity and Separation through Induced Fit in a Flexible Hybrid Ultramicroporous Material

Structural changes at the active site of an enzyme induced by binding to a substrate molecule can result in enhanced activity biological systems. Herein, we report that new hybrid ultramicroporous material sql-SIFSIX-bpe-Zn exhibits fit mechanism when exposed acetylene, C2H2. The resulting phase change affords exceptionally strong C2H2 turn enables highly selective C2H2/C2H4 and C2H2/CO2 separation demonstrated dynamic breakthrough experiments. was observed exhibit least four phases: as-synthesised (α); activated (β); phases (β′ γ). sql-SIFSIX-bpe-Zn-β exhibited affinity for ambient conditions as benchmark isosteric heat adsorption (Qst) 67.5 kJ mol−1 validated through situ pressure gradient differential scanning calorimetry (PG-DSC). Further, characterisation DFT calculations provide insight into transformation, positions nature host-guest guest-guest interactions.