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

doi:10.1039/d1cc02595c

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

Chemistry

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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 language	English
Pages (from-to)	7027-7030
Number of pages	4
Journal	Chemical communications (Cambridge, England)
Volume	57
Issue number	57
Early online date	18 Jun 2021
DOIs	https://doi.org/10.1039/d1cc02595c
Publication status	Published - 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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10.1039/d1cc02595cLicence: Creative Commons: Attribution (CC BY)

d1cc02595cFinal published version, 1.89 MBLicence: Creative Commons: Attribution (CC BY)

Synthesis, Structure and Properties of now layed oxide fluorides.
Greaves, C.
Engineering & Physical Science Research Council
1/10/01 → 30/09/04
Project: Research Councils

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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.",

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AU - Greaves, Colin

PY - 2021/7/15

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KW - Bismuth/chemistry

KW - Catalysis

KW - Density Functional Theory

KW - Enzymes/chemistry

KW - Magnetics

KW - Manganese/chemistry

KW - Molecular Conformation

KW - Neutron Diffraction

KW - Oxygen/chemistry

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

Abstract

Keywords

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Synthesis, Structure and Properties of now layed oxide fluorides.

Cite this