Achieving efficient xenon/krypton (Xe/Kr) separation in emerging hydrogen-bonded organic frameworks (HOFs) is highly challenging because of the lack of gas-binding sites on their pore surfaces. Herein, we report the first microporous HOF (HOF-FJU-168) based on hydrogen-bonded helical chains, which prevent self-aggregation of the pyrene core, thereby preserving open pyrene sites on the pore surfaces. Its activated form, HOF-FJU-168a is capable of separating Xe/Kr under ambient conditions while achieving an excellent balance between adsorption capacity and selectivity. At 296 K and 1 bar, the Xe adsorption capacity of HOF-FJU-168a reached 78.31 cm³/g, with an Xe/Kr IAST selectivity of 22.0; both values surpass those of currently known top-performing HOFs. Breakthrough experiments confirmed its superior separation performance with a separation factor of 8.6 and a yield of high-purity Kr (> 99.5%) of 184 mL/g. Furthermore HOF-FJU-168 exhibits excellent thermal and chemical stability, as well as renewability. Single-crystal X-ray diffraction and molecular modeling revealed that the unique electrostatic surface potential around the open pyrene sites creates a micro-electric field, exerting a stronger polarizing effect on Xe than on Kr, thereby enhancing host-Xe interactions.

中文翻译：

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一种微孔氢键有机框架，具有开阔的芘位点，由氢键螺旋链分离，用于高效分离氙和氪


在新兴的氢键有机框架 （HOF） 中实现高效的氙/氪 （Xe/Kr） 分离极具挑战性，因为它们的孔表面缺乏气体结合位点。在此，我们报道了第一个基于氢键螺旋链的微孔 HOF （HOF-FJU-168），它阻止了芘核的自聚集，从而保留了孔面上的开放芘位点。其活化形式 HOF-FJU-168a 能够在环境条件下分离 Xe/Kr，同时在吸附容量和选择性之间实现出色的平衡。在 296 K 和 1 bar 时，HOF-FJU-168a 的 Xe 吸附容量达到 78.31 cm³/g，Xe/Kr IAST 选择性为 22.0;这两个值都超过了目前已知的表现最好的 HOF。突破性实验证实了其卓越的分离性能，分离因子为 8.6，高纯度 Kr （> 99.5%） 的产率为 184 mL/g。此外，HOF-FJU-168 还表现出优异的热稳定性和化学稳定性以及可再生性。单晶 X 射线衍射和分子建模表明，开放芘位周围独特的静电表面电位会产生微电场，对 Xe 的极化效应比对 Kr 的极化效应更强，从而增强宿主-Xe 相互作用。