Journal Home > Volume 16 , Issue 2

Multiple space from the interior of metal-organic polyhedra (MOPs), the exterior among MOPs, and the inherent nature of big organic molecules makes MOPs as promising platform with hierarchical porous structures, especially when well-elucidated reticular chemistry principles were used. Herein we describe the preparation of a series of isoreticular octahedral MOPs featuring Zn4-p-tert-butylsulfonylcalix[4]arene clusters by the metal-directed assembly of three rigid organic ligands with different lengths. Intercage hydrogen-bonds and hydrophobic interactions between sulfonylcalix[4]arene groups direct the stacking of discrete MOPs into a novel permanent hierarchical porous material. More importantly, the optimal MOP 1-Zn exhibits high adsorption capacity of Xe and excellent Xe/Kr (20/80, v/v) separation performance, as demonstrated by adsorption isotherms, breakthrough experiments, and density functional theory calculations. Additionally, grand canonical Monte Carlo (GCMC) and dispersion-corrected density functional theory (DFT-D) theoretical calculations provide molecular-level insight over the adsorption/separation mechanism.

File
12274_2022_4909_MOESM1_ESM.pdf (5.3 MB)
Publication history
Copyright
Acknowledgements

Publication history

Received: 15 May 2022
Revised: 01 August 2022
Accepted: 16 August 2022
Published: 13 September 2022
Issue date: February 2023

Copyright

© Tsinghua University Press 2022

Acknowledgements

Acknowledgements

This work was supported by the National Natural Science Foundation of China (No. 22101004), the Natural Science Foundation of Anhui Province (No. 2008085QB62), and the Shanghai Science and Technology Committee (No. 19DZ2270100).

Return