A two-dimensional metal-organic framework assembled from scandium-based cages for the selective capture of sulfur hexafluoride

Hao Wang; Le Shi; Zhangyi Xiong; Si Ma; Honghao Cao; Shijia Cai; Zhiwei Qiao; Jun Pan; Zhijie Chen

doi:10.1039/d3cc05087d

A two-dimensional metal-organic framework assembled from scandium-based cages for the selective capture of sulfur hexafluoride

Chem Commun (Camb). 2024 Feb 22;60(17):2397-2400. doi: 10.1039/d3cc05087d.

Authors

Hao Wang^{1

2

3}, Le Shi^{1

2}, Zhangyi Xiong^{1

2}, Si Ma^{1

2}, Honghao Cao^{1

2}, Shijia Cai⁴, Zhiwei Qiao⁴, Jun Pan³, Zhijie Chen^{1

2}

Affiliations

¹ Stoddart Institute of Molecular Science, Department of Chemistry, State Key Laboratory of Silicon and Advanced Semiconductor Materials, Zhejiang University, Hangzhou 310058, P. R. China.
² Zhejiang-Israel Joint Laboratory of Self-Assembling Functional Materials, ZJU-Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou 311215, P. R. China. zhijiechen@zju.edu.cn.
³ College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014, P. R. China. panjun0123@zjut.edu.cn.
⁴ Guangzhou Key Laboratory for New Energy and Green Catalysis, School of Chemistry and Chemical Engineering, Guangzhou University, Guangzhou 5100006, P. R. China. zqiao@gzhu.edu.cn.

PMID: 38323363
DOI: 10.1039/d3cc05087d

Abstract

Herein, we report the synthesis of a two-dimensional metal-organic framework (MOF), assembled from octahedral metal-organic cages featuring phenanthroline-based carboxylate linkers and μ₃-oxo-centered trinuclear Sc(III) inorganic building blocks. We study the performance of this MOF towards the capture of sulfur hexafluoride (SF₆). On account of its structural features and porous nature, this MOF displays an SF₆ uptake capacity of 0.92 mmol g^-1 at 0.1 bar and an isosteric heat of adsorption of about 30.7 kJ mol^-1 for SF₆, illustrating its potential application for the selective capture of SF₆ from N₂. In addition, we study the adsorptive binding mechanism of SF₆ and N₂ inside this MOF via molecular simulations.