Energy-structure-property relationships in uranium metal-organic frameworks

Located at the foot of the periodic table, uranium is a relatively underexplored element possessing rich chemistry. In addition to its high relevance to nuclear power, uranium shows promise for small molecule activation and photocatalysis, among many other powerful functions. Researchers have used metal-organic frameworks (MOFs) to harness uranium's properties, and in their quest to do so, have discovered remarkable structures and unique properties unobserved in traditional transition metal MOFs. More recently, (e.g. the last 8-10 years), theoretical calculations of framework energetics have supplemented structure-property studies in uranium MOFs (U-MOFs). In this Perspective, we summarize how these budding energy-structure-property relationships in U-MOFs enable a deeper understanding of chemical phenomena, enlarge chemical space, and elevate the field to targeted, rather than exploratory, discovery. Importantly, this Perspective encourages interdisciplinary connections between experimentalists and theorists by demonstrating how these collaborations have elevated the entire U-MOF field.

Automated summary

Uranium, a relatively unexplored element, has rich chemistry and shows promise for various powerful functions such as small molecule activation and photocatalysis. By using metal-organic frameworks (MOFs), researchers have harnessed the properties of uranium and discovered remarkable structures and unique properties not observed in traditional transition metal MOFs. Theoretical calculations have also complemented structure-property studies in uranium MOFs. In this Perspective, the energy-structure-property relationships in U-MOFs are summarized to enable a deeper understanding of chemical phenomena and elevate the field to targeted discovery.