Issue 10, 2024

Efficient separation of xylene isomers by nonporous adaptive crystals of hybrid[3]arene in both vapor and liquid phases

Abstract

The separation of xylene isomers is a major challenge in the petrochemical industry. However, the traditional distillation method is an energy-intensive process for the separation of xylene isomers. Herein, we develop nonporous adaptive crystals based on hybrid[3]arene H () for the efficient separation of xylene isomers. shows high selectivity for ortho-xylene from the mixture of xylene isomers in both vapor and liquid phases, with a purity of 90.22% and 99.48%, respectively. The single crystal structure analysis suggests that the selectivity is derived from multiple C–H⋯O and C–H⋯π interactions between H and the preferred guest molecule, ortho-xylene, which is also confirmed by visual study of weak intermolecular interactions and electrostatic potential maps between H and xylene isomers. Besides, the Gibbs free energies of for xylene isomers show that the adsorption energy of for ortho-xylene is lower than that of meta-xylene or para-xylene, further confirming the preferred adsorption of for ortho-xylene. Moreover, is highly recyclable due to the reversible transformation between guest-free and guest-contained structures. This work will afford a new strategy for the separation of other important aromatic isomers and provide inspiration for the use of supramolecular host-based nonporous adaptive crystals in other energy-intensive separation methods.

Graphical abstract: Efficient separation of xylene isomers by nonporous adaptive crystals of hybrid[3]arene in both vapor and liquid phases

Supplementary files

Article information

Article type
Research Article
Submitted
21 nov 2023
Accepted
02 feb 2024
First published
02 feb 2024

Mater. Chem. Front., 2024,8, 2273-2281

Efficient separation of xylene isomers by nonporous adaptive crystals of hybrid[3]arene in both vapor and liquid phases

Y. Wang, Z. Wang, S. Wei, S. Wu, M. Wang, G. Yu, P. Chen, X. Liu and J. Zhou, Mater. Chem. Front., 2024, 8, 2273 DOI: 10.1039/D3QM01231J

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