BiMnPO5 with ferromagnetic Mn2+-(μ-O)2-Mn2+ units: a model for magnetic exchange in edge-linked Mn2+O6 octahedra

Rukang Li, Ronald I Smith, Colin Greaves

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Abstract

Magnetic interactions within Mn-(μ-O)2-Mn pairs are crucial to the function of some essential enzymes and catalysts, but their nature is unclear. Neutron diffraction reveals that similar units in BiMnPO5 show ferromagnetic coupling which has been rationalized by density functional theory modelling and calculations of magnetic exchange energies. The results are important to many solid state and biological systems.

Original languageEnglish
Pages (from-to)7027-7030
Number of pages4
JournalChemical communications (Cambridge, England)
Volume57
Issue number57
Early online date18 Jun 2021
DOIs
Publication statusPublished - 15 Jul 2021

Keywords

  • Bismuth/chemistry
  • Catalysis
  • Density Functional Theory
  • Enzymes/chemistry
  • Magnetics
  • Manganese/chemistry
  • Molecular Conformation
  • Neutron Diffraction
  • Oxygen/chemistry

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