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  [OsF6]x−: Molecular Models for Spin‐Orbit Entangled Phenomena

Pedersen, K. S., Woodruff, D. N., Singh, S. K., Tressaud, A., Durand, E., Atanasov, M., et al. (2017). [OsF6]x−: Molecular Models for Spin‐Orbit Entangled Phenomena. Chemistry – A European Journal, 23(47), 11244-11248. doi:10.1002/chem.201702894.

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 Creators:
Pedersen, Kaspar S.1, 2, 3, 4, Author
Woodruff, Daniel N.5, Author
Singh, Saurabh Kumar6, Author           
Tressaud, Alain3, 4, Author
Durand, Etienne3, 4, Author
Atanasov, Mihail6, 7, Author           
Perlepe, Panagiota1, 2, 3, 4, Author
Ollefs, Katharina8, Author
Wilhelm, Fabrice8, Author
Mathonière, Corine3, 4, Author
Neese, Frank6, Author           
Rogalev, Andrei8, Author
Bendix, Jesper9, Author
Clérac, Rodolphe1, 2, Author
Affiliations:
1CNRS, CRPP, UPR 8641, 33600 Pessac, France, ou_persistent22              
2Univ. Bordeaux, CRPP, UPR 8641, 33600 Pessac, France, ou_persistent22              
3CNRS, ICMCB, UPR 9048, 33600 Pessac, France, ou_persistent22              
4Univ. Bordeaux, ICMCB, UPR 9048, 33600 Pessac, France, ou_persistent22              
5Department of Chemistry, University of Oxford, Oxford, OX1 3QR UK, ou_persistent22              
6Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              
7Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1123 Sofia, Bulgaria, ou_persistent22              
8ESRF-The European Synchrotron, CS 40220, 38043 Grenoble Cedex 9, France, ou_persistent22              
9Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark, ou_persistent22              

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Free keywords: 5d elements; ab initio calculations; magnetism; osmium; spin-orbit interaction; X-ray spectroscopy
 Abstract: Heavy 5d elements, like osmium, feature strong spin‐orbit interactions which are at the origin of exotic physical behaviors. Revealing the full potential of, for example, novel osmium oxide materials (“osmates”) is however contingent upon a detailed understanding of the local single‐ion properties. Herein, two molecular osmate analogues, [OsF6]2− and [OsF6], are reported as model systems for Os4+ and Os5+ centers found in oxides. Using X‐ray absorption spectroscopy (XAS) and X‐ray magnetic circular dichroism (XMCD) techniques, combined with state‐of‐the‐art ab initio calculations, their ground state was elucidated; mirroring the osmium electronic structure in osmates. The realization of such molecular model systems provides a unique chemical playground to engineer materials exhibiting spin‐orbit entangled phenomena.

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Language(s): eng - English
 Dates: 2017-06-262017-08-22
 Publication Status: Published online
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/chem.201702894
 Degree: -

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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: - Volume / Issue: 23 (47) Sequence Number: - Start / End Page: 11244 - 11248 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058