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  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., 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.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-7260-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-AA8E-D
Genre: Journal Article

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https://dx.doi.org/10.1002/chem.201805090 (Publisher version)
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 Creators:
Coutinho, J. T.1, Author
Perfetti, M.2, 3, Author
Baldovi, J.4, Author              
Antunes, M. A.1, Author
Hallmen, P. P.2, Author
Bamberger, H.2, Author
Crassee, I.5, Author
Orlita, M.5, 6, Author
Almeida, M.1, Author
van Slageren, J.2, Author
Pereira, L. C. J.1, Author
Affiliations:
1C2TN, Center for Nuclear Sciences and Technologies, Instituto Superior Técnico, Universidade de Lisboa, ou_persistent22              
2Institut für Physikalische Chemie, Universität Stuttgart, ou_persistent22              
3Dept. Chemistry, University of Copenhagen, ou_persistent22              
4Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
5Laboratoire National des Champs Magnétiques Intenses, CNRS-UGA-UPS- INSA-EMFL, ou_persistent22              
6Institute of Physics, Charles University, ou_persistent22              

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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.

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Language(s): eng - English
 Dates: 2018-10-092018-11-072019-02-01
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1002/chem.201805090
 Degree: -

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Project name : EU (ERC‐2016‐AdG‐694097 QSpec‐New Mat). FCT (Portugal) contract UID/Multi/04349/2013, doctoral grant to J.T.C. (SFRH/BD/84628/2012) and postdoctoral grant to M.A.A. (SFRH/BPD/74194/2010). EU Marie Curie Fellowship (H2020‐MSCA‐IF‐2016–751047) to J.J.B. DFG SL104/5‐1 (J.v.S., M.P.). COST action CA15128 (MOLSPIN) are also acknowledged. We thank Prof. H. Stoll and Prof. G. Rauhut (University of Stuttgart), as well as Prof. K. A. Peterson (Washington State University), for useful discussions.
Grant ID : 751047
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: 9 Volume / Issue: 25 (7) Sequence Number: - Start / End Page: 1758 - 1766 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058