An [FeIII34] Molecular Metal Oxide

Alice E. Dearle, Daniel J. Cutler, Hector W.L. Fraser, Sergio Sanz, Edward Lee, Sourav Dey, Ismael F. Diaz-Ortega, Gary S. Nichol, Hiroyuki Nojiri, Marco Evangelisti, Gopalan Rajaraman, Jürgen Schnack, Leroy Cronin, Euan K. Brechin

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22 Citations (Scopus)


The dissolution of anhydrous iron bromide in a mixture of pyridine and acetonitrile, in the presence of an organic amine, results in the formation of an [Fe34] metal oxide molecule, structurally characterised by alternate layers of tetrahedral and octahedral FeIII ions connected by oxide and hydroxide ions. The outer shell of the complex is capped by a combination of pyridine molecules and bromide ions. Magnetic data, measured at temperatures as low as 0.4 K and fields up to 35 T, reveal competing antiferromagnetic exchange interactions; DFT calculations showing that the magnitudes of the coupling constants are highly dependent on both the Fe-O-Fe angles and Fe−O distances. The simplicity of the synthetic methodology, and the structural similarity between [Fe34], bulk iron oxides, previous FeIII–oxo cages, and polyoxometalates (POMs), hints that much larger molecular FeIII oxides can be made.

Original languageEnglish
Pages (from-to)16903-16906
Number of pages4
JournalAngewandte Chemie - International Edition
Issue number47
Publication statusPublished - 2019 Nov 18


  • DFT calculations
  • Fe cages
  • magnetic behaviour
  • molecular metal oxides
  • spin frustration


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