Trace removal of benzene vapour using double-walled metal–dipyrazolate frameworks

Tao He, Xiang Jing Kong, Zhen Xing Bian, Yong Zheng Zhang, Guang Rui Si, Lin Hua Xie, Xue Qian Wu, Hongliang Huang, Ze Chang, Xian He Bu, Michael J. Zaworotko, Zuo Ren Nie, Jian Rong Li

Research output: Contribution to journalArticlepeer-review

Abstract

In principle, porous physisorbents are attractive candidates for the removal of volatile organic compounds such as benzene by virtue of their low energy for the capture and release of this pollutant. Unfortunately, many physisorbents exhibit weak sorbate–sorbent interactions, resulting in poor selectivity and low uptake when volatile organic compounds are present at trace concentrations. Herein, we report that a family of double-walled metal–dipyrazolate frameworks, BUT-53 to BUT-58, exhibit benzene uptakes at 298 K of 2.47–3.28 mmol g−1 at <10 Pa. Breakthrough experiments revealed that BUT-55, a supramolecular isomer of the metal–organic framework Co(BDP) (H2BDP = 1,4-di(1H-pyrazol-4-yl)benzene), captures trace levels of benzene, producing an air stream with benzene content below acceptable limits. Furthermore, BUT-55 can be regenerated with mild heating. Insight into the performance of BUT-55 comes from the crystal structure of the benzene-loaded phase (C6H6@BUT-55) and density functional theory calculations, which reveal that C–H···X interactions drive the tight binding of benzene. Our results demonstrate that BUT-55 is a recyclable physisorbent that exhibits high affinity and adsorption capacity towards benzene, making it a candidate for environmental remediation of benzene-contaminated gas mixtures.

Original languageEnglish
Pages (from-to)689-695
Number of pages7
JournalNature Materials
Volume21
Issue number6
DOIs
Publication statusPublished - Jun 2022

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