Quantifying the Dynamic Response in Metal-Organic Frameworks (MOFs): A Platform for Tuning Chemical Space in Porous Materials
Lead Research Organisation:
University of Bath
Department Name: Chemical Engineering
Abstract
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Organisations
People |
ORCID iD |
| Tina Duren (Principal Investigator) |
| Description | The main finding so far is the discovery of the molecular level mechanisms that lead to the astonishing structural response of the metal-organic framework SHF-61. Here the complex interplay of the cation (i.e. a charged guest) with the solvent is key. For example, the strength of the interaction of the solvent with the cation determines whether the cation is forced into a locking position that keeps the framework open or whether it stays in a more mobile position that allows to framework to adapt its pore size in response to the removal of the solvent molecules or the uptake of other guests. Overall, this opens up new research directions and puts the spotlight on exploiting the role of cations in metal-organic framework to design metal-organic frameworks with targeted flexibility behaviour. While the award has officially ended at the University of Bath, the linked awards at the University of Sheffield and the University of Strathclyde are still ongoing and we continue to provide simulation results and input to interpret experimental results. It is expected that further key findings will emerge over the coming year. |
| Exploitation Route | While cations play an important role in zeolite catalysis and separation and their role is well studied, most metal-organic frameworks consist of neutral framework and the role of cations is very little studied. The cooperative behaviour between cation, solvent and the framework opens up a whole new avenue of tailoring responsive frameworks for applications such as separations, drug delivery or sensing. Due to the generally larger pore and window sizes in metal-organic frameworks compared to zeolites and therefore the ability to accommodate larger and more varied cations, there is a host of new phenomena to be discovered. |
| Sectors | Chemicals Energy Environment |