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

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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.

Original languageEnglish
Pages (from-to)12948-12952
Number of pages5
JournalChemistry - A European Journal
Volume19
Issue number39
DOIs
Publication statusPublished - Sep 23 2013

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Organic Chemistry

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