Efficient separation of xylene isomers by a guest-responsive metal–organic framework with rotational anionic sites

Xili Cui (), Zheng Niu, Chuan Shan, Lifeng Yang, Jianbo Hu, Qingju Wang, Pui Ching Lan, Yijian Li, Lukasz Wojtas, Shengqian Ma () and Huabin Xing ()
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Xili Cui: Zhejiang University
Zheng Niu: Soochow University
Chuan Shan: University of South Florida
Lifeng Yang: Zhejiang University
Jianbo Hu: Zhejiang University
Qingju Wang: Zhejiang University
Pui Ching Lan: University of North Texas
Yijian Li: Zhejiang University
Lukasz Wojtas: University of South Florida
Shengqian Ma: University of South Florida
Huabin Xing: Zhejiang University

Nature Communications, 2020, vol. 11, issue 1, 1-8

Abstract: Abstract The separation of xylene isomers (para-, meta-, orth-) remains a great challenge in the petrochemical industry due to their similar molecular structure and physical properties. Porous materials with sensitive nanospace and selective binding sites for discriminating the subtle structural difference of isomers are urgently needed. Here, we demonstrate the adaptively molecular discrimination of xylene isomers by employing a NbOF52−-pillared metal–organic framework (NbOFFIVE-bpy-Ni, also referred to as ZU-61) with rotational anionic sites. Single crystal X-ray diffraction studies indicate that ZU-61 with guest-responsive nanospace/sites can adapt the shape of specific isomers through geometric deformation and/or the rotation of fluorine atoms in anionic sites, thereby enabling ZU-61 to effectively differentiate xylene isomers through multiple C–H···F interactions. ZU-61 exhibited both high meta-xylene uptake capacity (3.4 mmol g−1) and meta-xylene/para-xylene separation selectivity (2.9, obtained from breakthrough curves), as well as a favorable separation sequence as confirmed by breakthrough experiments: para-xylene elute first with high-purity (≥99.9%), then meta-xylene, and orth-xylene. Such a remarkable performance of ZU-61 can be attributed to the type anionic binding sites together with its guest-response properties.

Date: 2020
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DOI: 10.1038/s41467-020-19209-7

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