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(NO<sub>3</sub>)<sub>3</sub>] family, where Rad is a tripodal nitroxide, and Ln is Er(III) or Yb(III), having the prolate type electron density. Single O...

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Bibliographic Details
Main Authors: Mauro Perfetti, Alexey A. Dmitriev, Kira E. Vostrikova
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Magnetochemistry
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Online Access:https://www.mdpi.com/2312-7481/11/2/16
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Summary:In this paper, we investigate the magnetic exchange interaction and magnetization dynamics of two new members of the [LnRad(NO<sub>3</sub>)<sub>3</sub>] 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 <i>J</i> values of ≈7 and ≈20 cm<sup>−1</sup> for Er and Yb, respectively (+<i>J S</i><sub>eff</sub>∙ <i>S</i> formalism).
ISSN:2312-7481