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    Metal–Organic Framework-Based Single-Molecule SF6 Trap for Record SF6 Capture
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    • Miao Chang
      Miao Chang
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029, China
      More by Miao Chang
    • Tongan Yan
      Tongan Yan
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      More by Tongan Yan
    • Yan Wei
      Yan Wei
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029, China
      More by Yan Wei
    • Jie-Xin Wang*
      Jie-Xin Wang
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029, China
      *Email: liudh@mail.buct.edu.cn
      More by Jie-Xin Wang
      Orcidhttps://orcid.org/0000-0003-0459-1621
    • Dahuan Liu*
      Dahuan Liu
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      *Email: wangjx@mail.buct.edu.cn
      More by Dahuan Liu
      Orcidhttps://orcid.org/0000-0003-1005-3168
    • Jian-Feng Chen
      Jian-Feng Chen
      State Key Laboratory of Organic−Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
      Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029, China
      More by Jian-Feng Chen
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    Chemistry of Materials

    Cite this: Chem. Mater. 2022, 34, 20, 9134–9143
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    https://doi.org/10.1021/acs.chemmater.2c02004
    Published October 11, 2022
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    Abstract

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    Pursuing best-performing porous adsorbents to realize an effective SF6 recovery from SF6/N2 blends is of pronounced industrial worth. To tackle this key obstacle, we propose a single-molecule SF6 trap, which is based upon a splint-like pore in a highly stable metal–organic framework Ni(adc)(dabco)0.5 through multipoint F···π affinity. The pore walls are decorated with oppositely parallel anthracene rings, and the overlapping region of anthracene rings forms a giant overlap of potential fields. This very strong SF6 trap presents a record initial isosteric heat of adsorption (47.6 kJ mol–1), Henry constant (285.0 mmol g–1 bar–1), and uptake (2.23 mmol g–1) for SF6, making it a new benchmark with an unexampled ideal selectivity (919.4) toward SF6 capture. The SF6 adsorption mechanism within the Ni(adc)(dabco)0.5-based single-molecule trap is identified via in situ powder X-ray diffraction and Fourier transform infrared reflection spectroscopy in conjunction with theoretical studies. The highest selectivity (948.2), SF6 breakthrough uptake (2.1 mmol g–1), and dimensionless time (481.6) with the breakthrough effect of complete separation further consolidated that this MOF-based single-molecule SF6 trap is a novel state-of-the-art candidate toward SF6/N2 separation.

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    • Materials and general methods; characterization results; experimental data for gas adsorption; comparison of separation properties; results of breakthrough tests, and computational results (PDF)

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    Cite this: Chem. Mater. 2022, 34, 20, 9134–9143
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