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I19-Small Molecule Single Crystal Diffraction	Rapid extraction of trace benzene by a crown-ether-based metal-organic framework Zhonghang Chen , Peiyu Fang , Jiangnan Li , Xue Han , Wenhao Huang , Wenyue Cui , Zhiwei Liu , Mark R. Warren , David Allan , Peng Cheng , Sihai Yang , Wei Shi National Science Review DOI: 10.1093/nsr/nwae342 Diamond Proposal Number(s): [36394] Open Access Show Abstract ▼ Abstract: Due to almost identical boiling points of benzene and cyclohexane, the extraction of trace benzene from cyclohexane is currently performed via the energy-intensive extractive distillation method. Their adsorptive separation by porous materials is hampered by their similar dimensions. Metal-organic frameworks (MOFs) with versatile pore environments are capable of molecular discrimination, but the separation of trace substrates in liquid-phase remains extremely challenging. Herein, we report a robust MOF (NKU-300) with triangular channels decorated with crown ether that can discriminate trace benzene from cyclohexane, exhibiting an unprecedented selectivity of 8615(10) for the mixture of benzene/cyclohexane (v/v = 1/1000). Remarkably, NKU-300 demonstrates exceptional selectivities for the extraction of benzene from cyclohexane over a wide range of concentrations of 0.1%–50% with ultrafast sorption kinetics and excellent stability. Single-crystal X-ray diffraction and computational modelling reveal that multiple supramolecular interactions cooperatively immobilise benzene molecules in the triangular channel, enabling the superior separation performance. This study will promote the application of advanced sorbents with tailored binding sites for challenging industrial separations.	Oct 2024

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I19-Small Molecule Single Crystal Diffraction

Rapid extraction of trace benzene by a crown-ether-based metal-organic framework