Issue 44, 2022

Identification of a metastable uranium metal–organic framework isomer through non-equilibrium synthesis

Abstract

Since the structure of supramolecular isomers determines their performance, rational synthesis of a specific isomer hinges on understanding the energetic relationships between isomeric possibilities. To this end, we have systematically interrogated a pair of uranium-based metal–organic framework topological isomers both synthetically and through density functional theory (DFT) energetic calculations. Although synthetic and energetic data initially appeared to mismatch, we assigned this phenomenon to the appearance of a metastable isomer, driven by levers defined by Le Châtelier's principle. Identifying the relationship between structure and energetics in this study reveals how non-equilibrium synthetic conditions can be used as a strategy to target metastable MOFs. Additionally, this study demonstrates how defined MOF design rules may enable access to products within the energetic phase space which are more complex than conventional binary (e.g., kinetic vs. thermodynamic) products.

Graphical abstract: Identification of a metastable uranium metal–organic framework isomer through non-equilibrium synthesis

Supplementary files

Article information

Article type
Edge Article
Submitted
26 Aug 2022
Accepted
24 Oct 2022
First published
31 Oct 2022
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2022,13, 13032-13039

Identification of a metastable uranium metal–organic framework isomer through non-equilibrium synthesis

S. L. Hanna, T. T. Debela, A. M. Mroz, Z. H. Syed, K. O. Kirlikovali, C. H. Hendon and O. K. Farha, Chem. Sci., 2022, 13, 13032 DOI: 10.1039/D2SC04783G

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