title: Multi-step spin crossover accompanied by symmetry breaking in an Fe(III) complex: crystallographic evidence and DFT studies.
abstract: 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.
authors.affiliation: Institute for Materials Chemistry and Engineering, Kyushu University, 6-1 Kasuga-koen, Fukuoka, 816-8580 (Japan), Fax: (+81) 925837787.
authors.forename: Zhao-Yang
authors.initials: ZY
authors.lastname: Li
authors.forename: Jing-Wei
authors.initials: JW
authors.lastname: Dai
authors.forename: Yoshihito
authors.initials: Y
authors.lastname: Shiota
authors.forename: Kazunari
authors.initials: K
authors.lastname: Yoshizawa
authors.forename: Shinji
authors.initials: S
authors.lastname: Kanegawa
authors.forename: Osamu
authors.initials: O
authors.lastname: Sato
keywords: iron; multistability; photo-responsive; spin crossover; symmetry breaking