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Linker Chlorination Enhances Xe Adsorption and Xe/Kr Separation in Metal-Organic Frameworks.

Created on 19 Oct 2026

Authors

Hui-Fang Ma, Yu-Ling Wang, Junmin Chen, Hui-Ping Xiao, Wen-Rou Yu, Qing-Yan Liu

Published in

Inorganic chemistry. Volume 65. Issue 41. Pages 24566-24572. Oct 19, 2026.

Abstract

Efficient separation of Xe/Kr mixture remains a challenge, due to their chemical inertness and the striking similarity of their physicochemical properties. In this work, the chlorine-decorated metal-organic framework (MOF) of JXNU-24(Cl) and its pristine JXNU-24 are presented for Xe/Kr separation. The chlorine-functionalized framework with a more polar pore microenvironment exhibits a stronger binding affinity toward Xe. Consequently, JXNU-24(Cl) exhibits a Xe/Kr adsorption selectivity of 10.3 and outstanding separation performance with a high productivity of 184 L kg-1 for high-purity Kr (>99.9%). Computational simulations reveal that the presence of chlorine substituents generates polar pore surfaces, which preferentially interact with the more polarizable Xe molecules, thereby enhancing Xe-framework interactions and Xe/Kr selectivity for JXNU-24(Cl). This work achieves preferential Xe recognition via framework polarity modulation and offers an effective molecular design strategy for constructing MOFs for efficient Xe/Kr separation.

PMID:
42895405
Bibliographic data and abstract were imported from PubMed on 19 Oct 2026.

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