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

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

Journal

Magnetochemistry
ISSN: 2312-7481

Output data

Year: 2025, Volume: 11, Number: 2, Article number : 16, Pages count : 14 DOI: 10.3390/magnetochemistry11020016

Tags

tripodal ligands; lanthanides; nitroxyl radicals; erbium(III); ytterbium(III); magnetic prop-erties; ab initio calculations

Authors

Perfetti Mauro ¹ , Dmitriev Alexey A. ² , Vostrikova Kira E. ³

Affiliations

1	Department of Chemistry “U. Schiff”, INSTM-University of Florence Research Unit, Via della Lastruccia 3–13, 50019 Sesto Fiorentino, FI, Italy
2	Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, 630090 Novosibirsk, Russia
3	Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, 630090 Novosibirsk, Russia

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). Keywords: tripodal ligands; lanthanides; nitroxyl radicals; erbium(III); ytterbium(III); magnetic properties; ab initio calculations

Perfetti M. , Dmitriev A.A. , Vostrikova K.E.
Er(III) and Yb(III) Complexes with a Tripodal Nitroxyl Radical: Magnetochemical Study and Ab Initio Calculations
Magnetochemistry. 2025. V.11. N2. 16 :1-14. DOI: 10.3390/magnetochemistry11020016

Submitted:	Dec 26, 2024
Accepted:	Feb 12, 2025
Published print:	Feb 14, 2025
Published online:	Feb 14, 2025

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