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

被引：0

作者：

Perfetti, Mauro ^{[1
]}

Dmitriev, Alexey A. ^{[2
]}

Vostrikova, Kira E. ^{[3
]}

机构：

[1] Univ Florence, Dept Chem U Schiff, Res Unit, INSTM, Via Lastruccia 3-13, I-50019 Sesto Fiorentino, FI, Italy

[2] Russian Acad Sci, Voevodsky Inst Chem Kinet & Combust, Siberian Branch, Novosibirsk 630090, Russia

[3] Russian Acad Sci, Siberian Branch, Nikolaev Inst Inorgan Chem, Novosibirsk 630090, Russia

来源：

MAGNETOCHEMISTRY | 2025年 / 11卷 / 02期

基金：

俄罗斯科学基金会;

关键词：

tripodal ligands; lanthanides; nitroxyl radicals; erbium(III); ytterbium(III); magnetic properties; ab initio calculations; SLOW MAGNETIC-RELAXATION; BASIS-SETS; LANTHANIDE COMPLEXES; SPIN-CROSSOVER; ER-III; GD-III; LIGANDS; EXCHANGE; VALENCE; DENSITY;

D O I：

10.3390/magnetochemistry11020016

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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 approximate to 7 and approximate to 20 cm-1 for Er and Yb, respectively (+J Seff center dot S formalism).

引用

页数：14

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