A Microporous Hydrogen-Bonded Organic Framework for Efficient Xe/Kr Separation

Separation of xenon/krypton gas mixtures is one of the valuable but challenging processes in the gas industries due to their close molecular size and similar physical properties. Here, we report a novel ultramicroporous hydrogen-bonded organic framework (termed as HOF-40) constructed from a cyano-based organic building unit of 1,2,4,5-tetrakis(4-cyanophenyl)benzene (TCPB), exhibiting superior separation performance for Xe/Kr mixtures, as clearly demonstrated by dynamic breakthrough curves. GCMC simulation results indicate that the pore confinement effect and abundant accessible binding sites play a synergistic role in this challenging gas separation. Furthermore, this cyano-based HOF displays excellent chemical stability from 12 M HCl to 20 M NaOH aqueous solutions. © 2022 American Chemical Society.