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

研究成果: ジャーナルへの寄稿記事

45 引用 (Scopus)

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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.

元の言語英語
ページ(範囲)12948-12952
ページ数5
ジャーナルChemistry - A European Journal
19
発行部数39
DOI
出版物ステータス出版済み - 9 23 2013

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Magnetic structure
Discrete Fourier transforms
Magnetic properties
Single crystals
X ray diffraction

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Organic Chemistry

これを引用

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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.",
author = "Li, {Zhao Yang} and Dai, {Jing Wei} and Yoshihito Shiota and Kazunari Yoshizawa and Shinji Kanegawa and Osamu Sato",
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T1 - Multi-step spin crossover accompanied by symmetry breaking in an Fe III complex

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AU - Li, Zhao Yang

AU - Dai, Jing Wei

AU - Shiota, Yoshihito

AU - Yoshizawa, Kazunari

AU - Kanegawa, Shinji

AU - Sato, Osamu

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AB - 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.

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