O'Shaughnessy, Megan, Glover, Joseph, Hafizi, Roohollah, Barhi, Mounib, Clowes, Rob 
ORCID: 0009-0002-4686-2119, Chong, Samantha Y ORCID: 0000-0002-3095-875X, Argent, Stephen P, Day, Graeme M and Cooper, Andrew I ORCID: 0000-0003-0201-1021
(2024)
Porous isoreticular non-metal organic frameworks.
Nature, 630 (8015).
pp. 102-108.
ISSN 0028-0836, 1476-4687
Abstract
Metal-organic frameworks (MOFs) are useful synthetic materials that are built by the programmed assembly of metal nodes and organic linkers1. The success of MOFs results from the isoreticular principle2, which allows families of structurally analogous frameworks to be built in a predictable way. This relies on directional coordinate covalent bonding to define the framework geometry. However, isoreticular strategies do not translate to other common crystalline solids, such as organic salts3-5, in which the intermolecular ionic bonding is less directional. Here we show that chemical knowledge can be combined with computational crystal-structure prediction6 (CSP) to design porous organic ammonium halide salts that contain no metals. The nodes in these salt frameworks are tightly packed ionic clusters that direct the materials to crystallize in specific ways, as demonstrated by the presence of well-defined spikes of low-energy, low-density isoreticular structures on the predicted lattice energy landscapes7,8. These energy landscapes allow us to select combinations of cations and anions that will form thermodynamically stable, porous salt frameworks with channel sizes, functionalities and geometries that can be predicted a priori. Some of these porous salts adsorb molecular guests such as iodine in quantities that exceed those of most MOFs, and this could be useful for applications such as radio-iodine capture9-12. More generally, the synthesis of these salts is scalable, involving simple acid-base neutralization, and the strategy makes it possible to create a family of non-metal organic frameworks that combine high ionic charge density with permanent porosity.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | 3402 Inorganic Chemistry, 3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, 7 Affordable and Clean Energy |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 13 Sep 2024 15:38 |
| Last Modified: | 22 May 2026 18:54 |
| DOI: | 10.1038/s41586-024-07353-9 |
| Open Access URL: | https://doi.org/10.1038/s41586-024-07353-9 |
| Related Websites: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3184512 |
| Disclaimer: | The University of Liverpool is not responsible for content contained on other websites from links within repository metadata. Please contact us if you notice anything that appears incorrect or inappropriate. |
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