Efficient C ₃ H ₆ /C ₃ H ₈ Separation in a Scalable Adenine-Based Metal–Organic Framework

Propylene/propane (C 3 H 6 /C 3 H 8 ) separation remains a major challenge because of the substantial energy input required to produce polymer-grade C 3 H 6 . Here, we report a scalable adenine-based metal–organic framework, Cu-AD-HEA, that enables efficient C 3 H 6 /C 3 H 8 separation through a confined pore environment featuring distinct corner cavities. Its Z-shaped pore channels integrate corner-cavity confinement, pore-space partitioning by phenylene diacetate linkers, and multiple Lewis basic sites from adenine ligands, thereby creating a confined recognition environment for selective C 3 H 6 adsorption over C 3 H 8 . Breakthrough experiments using equimolar C 3 H 6 /C 3 H 8 mixtures demonstrate effective dynamic separation performance, affording a C 3 H 6 working capacity of 1.91 mmol g –1 . Molecular simulations reveal that both guest molecules occupy similar pore regions, whereas C 3 H 6 is preferentially recognized through stronger cooperative host–guest interactions within the corner cavities. Moreover, a two-bed pressure-swing adsorption process further confirms the practical capability of Cu-AD-HEA for the coproduction of high-purity C 3 H 6 and C 3 H 8 .