hide
Free keywords:
Uranium, single-molecule magnet, ab initio calculations, crystal field splitting, spectroscopy
Abstract:
Early actinide ions have large spin‐orbit couplings and crystal field interactions, leading to large anisotropies. The success in using actinides as single‐molecule magnets has so far been modest, underlining the need for rational strategies. Indeed, the electronic structure of actinide single‐molecule magnets and its relation to their magnetic properties remains largely unexplored. Here we investigate a uranium(III) single molecule magnet, [UIII{SiMe2NPh}3‐tacn)(OPPh3)] (2), by means of a combination of magnetic, spectroscopic and theoretical methods, elucidating the origin of its static and dynamic magnetic properties.