Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion 
Magnet

Coutinho, J. T.; Perfetti, M.; Baldovi, J.; Antunes, M. A.; Hallmen, P. P.; Bamberger, H.; Crassee, I.; Orlita, M.; Almeida, M.; van Slageren, J.; Pereira, L. C. J.

doi:10.1002/chem.201805090

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Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion Magnet

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Baldovi, J.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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https://dx.doi.org/10.1002/chem.201805090
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Citation

Coutinho, J. T., Perfetti, M., Baldovi, J., Antunes, M. A., Hallmen, P. P., Bamberger, H., et al. (2019). Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion Magnet. Chemistry – A European Journal, 25(7), 1758-1766. doi:10.1002/chem.201805090.

Cite as: https://hdl.handle.net/21.11116/0000-0002-7260-1

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.