Counteranion-mediated efficient iodine capture in a hexacationic imidazolium organic cage enabled by multiple non-covalent interactions

Jian Yang, Shao-Jun Hu, Li-Xuan Cai, Li-Peng Zhou and Qing-Fu Sun ()
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Jian Yang: State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences
Shao-Jun Hu: State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences
Li-Xuan Cai: State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences
Li-Peng Zhou: State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences
Qing-Fu Sun: State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences

Nature Communications, 2023, vol. 14, issue 1, 1-8

Abstract: Abstract Developing efficient adsorbents to capture radioactive iodine produced from nuclear wastes is highly desired. Here we report the facial synthesis of a hexacationic imidazolium organic cage and its iodine adsorption properties. Crucial role of counteranions has been disclosed for iodine capture with this cage, where distinct iodine capture behaviors were observed when different counteranions were used. Mechanistic investigations, especially with the X-ray crystallographic analysis of the iodine-loaded sample, allowed the direct visualization of the iodine binding modes at the molecular level. A network of multiple non-covalent interactions including hydrogen bonds, halogen bonds, anion···π interactions, electrostatic interaction between polyiodides and the hexacationic skeleton of the cage are found responsible for the observed high iodine capture performance. Our results may provide an alternative strategy to design efficient iodine adsorbents.

Date: 2023
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DOI: 10.1038/s41467-023-41866-7

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