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Jiyu Cui Zhaoqiang Zhang Bin Tan Yuanbin Zhang Pengcheng Wang Xili Cui Huabin Xing 《化学:亚洲杂志》2019,14(20):3572-3576
Efficient separation of n‐butene (n‐C4H8) and iso‐butene (iso‐C4H8) is of significance for the upgrading of C4 olefins to high‐value end products but remains one of the major challenges in hydrocarbon purifications owing to their similar structures. Herein, we report a flexible metal‐organic framework, MnINA (INA=isonicotinate), featuring one‐dimensional pore channels with periodically large pocket‐like cavities connected by narrow bottlenecks, for the first time for efficient n‐/iso‐C4H8 separation. MnINA with smaller pore size (4.62 Å) compared with CuINA (4.84 Å), exhibits steep adsorption isotherms and high capacity of 1.79 mmol g?1 for n‐C4H8 (4.46 Å) through strong host‐guest interactions via C?H???π bonding. The narrow bottlenecks exert barriers for the large molecules of iso‐C4H8 (4.84 Å) within the gate‐opening pressure range of 0–0.1 bar. This gives rise to MnINA with excellent separation selectivity of 327.7 for n‐/iso‐C4H8 mixture. The adsorption mechanism for n‐C4H8 and the gate‐opening effect were investigated by dispersion‐corrected density functional (DFT‐D) theory, verifying the strong interactions between n‐C4H8 and the frameworks as well as the gate‐opening effect derived from the rotation of organic linkers. The breakthrough tests confirmed MnINA and CuINA can be promising candidates for n‐/iso‐C4H8 separation. 相似文献
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