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A Calix[4]resorcinarene-Based Giant Coordination Cage: Controlled Assembly and Iodine Uptake



Wen-Yuan Pei, Jin Yang, Hui Wu, Wei Zhou, Ying-Wei Yang, Jian-Fang Ma


For self-assembly of large multi-component coordination cages, the difficulty increases substantially as the number of components increases. Judicious choice of the ancillary ligand with desired structural features provides an efficient design strategy for controlled assembly of coordination cages with multi-components. Thus far, hexameric calix[4]resorcinarene-based coordination cages systematically mediated by ancillary polycarboxylic acids still remain unknown. In this work, two analogous, giant (5 nm in cage size), hexameric calix[4]resorcinarene-based coordination cages (cage-1) and (cage2), with large accessible internal cavities, were succesfully assembled through precisely tuning the ancillary rigid tetracarboxylic acids. Strikingly, cage-1 crystal exhibits reversible structural transformations upon loss and sorption of guest solvents, as revealed by diffraction studies. Density Functional based Tight Binding (DFTB) calculations were utilized to model the deolvated phase (cage-1'), and to probe the structural transformation mechanism of the cage molecule crystal. Importantly, cage-1 also exhibits fully reversible uptake of volatile iodine, suggesting it as a promising porous material for efficient capture and separation of radioactive iodine.
Chemical Communications


Porous Materials, Giant Cages, Iodine Capture


Pei, W. , Yang, J. , Wu, H. , Zhou, W. , Yang, Y. and Ma, J. (2020), A Calix[4]resorcinarene-Based Giant Coordination Cage: Controlled Assembly and Iodine Uptake, Chemical Communications, [online], (Accessed April 16, 2024)
Created February 24, 2020, Updated October 12, 2021