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Multi-step spin crossover accompanied by symmetry breaking in an Fe(III) complex: crystallographic evidence and DFT studies

Chemistry : a European journal, 2013-09, Vol.19 (39), p.12948-12952 [Peer Reviewed Journal]

Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. ;EISSN: 1521-3765 ;DOI: 10.1002/chem.201302272 ;PMID: 24038606

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  • Title:
    Multi-step spin crossover accompanied by symmetry breaking in an Fe(III) complex: crystallographic evidence and DFT studies
  • Author: Li, Zhao-Yang ; Dai, Jing-Wei ; Shiota, Yoshihito ; Yoshizawa, Kazunari ; Kanegawa, Shinji ; Sato, Osamu
  • Is Part Of: Chemistry : a European journal, 2013-09, Vol.19 (39), p.12948-12952
  • Description: Spin doctor: A mononuclear ferric complex [Fe(H-5-Br-thsa)(5-Br-thsa)]⋅H2O (1) (H2-5-Br-thsa = 5-bromo-2-hydroxybenzylidene)hydrazinecarbothioamide) was synthesized and its magnetic properties and structure were investigated by DFT calculations. This complex shows unprecedented reversible, six/five-step spin-crossover behavior accompanied by symmetry breaking. More importantly, each step in the multi-step transition was successfully characterized by single-crystal X-ray diffraction.
  • Publisher: Germany
  • Language: English
  • Identifier: EISSN: 1521-3765
    DOI: 10.1002/chem.201302272
    PMID: 24038606
  • Source: Alma/SFX Local Collection
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