Abstract

AbstractIn the electronics industry, the efficient recovery and capture of sulfur hexafluoride (SF6) from SF6/N2mixtures is of great importance. Herein, three metal–organic frameworks with fine‐tuning pore structures,Cu(peba)2,Ni(pba)2, andNi(ina)2, were designed for SF6capture. Among them,Ni(ina)2has perfect pore sizes (6 Å) that are comparable to the kinetic diameter of sulfur hexafluoride (5.2 Å), affording the benchmark binding affinity for SF6gas.Ni(ina)2exhibits the highest SF6/N2selectivity (375.1 at 298 K and 1 bar) and ultra‐high SF6uptake capacity (53.5 cm3 g−1at 298 K and 0.1 bar) at ambient conditions. The remarkable separation performance ofNi(ina)2was verified by dynamic breakthrough experiments. Theoretical calculations and the SF6‐loaded single‐crystal structure provided critical insight into the adsorption/separation mechanism. This porous coordination network has the potential to be used in industrial applications.

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