Er(III) and Yb(III) Complexes with a Tripodal Nitroxyl Radical: Magnetochemical Study and Ab Initio Calculations

In this paper, we investigate the magnetic exchange interaction and magnetization dynamics of two new members of the [LnRad(NO3)3] family, where Rad is a tripodal nitroxide, and Ln is Er(III) or Yb(III), having the prolate type electron density. Single OK crystal and powder X-ray diffraction studies...

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Veröffentlicht in:Magnetochemistry Jg. 11; H. 2; S. 16
Hauptverfasser: Perfetti, Mauro, Dmitriev, Alexey A., Vostrikova, Kira E.
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Basel MDPI AG 01.02.2025
Schlagworte:
Antiferromagnetism
Congeners
Crystal structure
Electron density
Electrons
Erbium
erbium(III)
Fourier transforms
Gadolinium
Geometry
lanthanides
Ligands
magnetic properties
Nitrates
nitroxyl radicals
tripodal ligands
X ray powder diffraction
Ytterbium
ytterbium(III)
United States > US
Japan
Germany
ISSN:2312-7481, 2312-7481
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Zusammenfassung:In this paper, we investigate the magnetic exchange interaction and magnetization dynamics of two new members of the [LnRad(NO3)3] family, where Rad is a tripodal nitroxide, and Ln is Er(III) or Yb(III), having the prolate type electron density. Single OK crystal and powder X-ray diffraction studies showed that these complexes are isostructural with their previously investigated Y, Gd, Dy, Tm, Tb, Eu, and Lu congeners. A magnetometric investigation, supported by ab initio calculations, showed the presence of antiferromagnetic coupling between the lanthanide ion and the radical in both compounds with estimated J values of ≈7 and ≈20 cm−1 for Er and Yb, respectively (+J Seff∙ S formalism).
Bibliographie:ObjectType-Article-1
SourceType-Scholarly Journals-1
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ISSN:2312-7481
2312-7481
DOI:10.3390/magnetochemistry11020016