Metal‐Organic Framework with High Densities of Open Metal Sites for Efficient Separation of Propylene from Propane

Abstract The separation of propylene/propane (C 3 H 6 /C 3 H 8 ) is a critical yet challenging process owing to their similar physical properties and molecular size. So it's urgent to explore efficient porous adsorbents to take place of the energy‐intensive consumption and high cost of traditional cryogenic distillation technologies. Here, we report a mixed metal‐organic framework (M'MOF), [Fe(pyz)Pt(CN) 4 ] (FePt‐M'MOF, pyz=pyrazine) for selective adsorptive separation of C 3 H 6 /C 3 H 8 at room temperature, which has multiple functional sites and optimized pore channels of about 4.0 Å. This MOF has an excellent separation performance with C 3 H 6 uptake of 47.4 cm 3 /g and a high C 3 H 6 /C 3 H 8 selectivity of 4.7 under ambient conditions. The separation performance of propylene in this material is driven by π‐π stacking and multiple intermolecular interactions between propylene molecules and the binding sites of FePt‐M'MOF. This material can be prepared at room temperature and is stable in water, providing potential applications for industrial C 3 H 6 /C 3 H 8 separation.