Premium
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.