Multi‐Step Spin Crossover Accompanied by Symmetry Breaking in an Fe III  Complex: Crystallographic Evidence and DFT Studies | Zendy

Li ZhaoYang | Zendy; Dai JingWei | Zendy; Shiota Yoshihito | Zendy; Yoshizawa Kazunari | Zendy; Kanegawa Shinji | Zendy; Sato Osamu | Zendy

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Multi‐Step Spin Crossover Accompanied by Symmetry Breaking in an Fe III Complex: Crystallographic Evidence and DFT Studies

Author(s) -

Li ZhaoYang,

Dai JingWei,

Shiota Yoshihito,

Yoshizawa Kazunari,

Kanegawa Shinji,

Sato Osamu

Publication year - 2013

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201302272

Subject(s) - spin crossover , crystallography , symmetry breaking , spin (aerodynamics) , crystal structure , diffraction , materials science , symmetry (geometry) , chemistry , condensed matter physics , physics , thermodynamics , geometry , mathematics , quantum mechanics , optics

Spin doctor : A mononuclear ferric complex [Fe(H‐5‐Br‐thsa)(5‐Br‐thsa)] ⋅ H 2 O ( 1 ) (H 2 ‐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.

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