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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| Published in: | Magnetochemistry Vol. 11; no. 2; p. 16 |
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| Abstract | 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). |
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| AbstractList | 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). 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). |
| Author | Dmitriev, Alexey A. Vostrikova, Kira E. Perfetti, Mauro |
| Author_xml | – sequence: 1 givenname: Mauro orcidid: 0000-0001-5649-0449 surname: Perfetti fullname: Perfetti, Mauro – sequence: 2 givenname: Alexey A. surname: Dmitriev fullname: Dmitriev, Alexey A. – sequence: 3 givenname: Kira E. orcidid: 0000-0003-0989-0524 surname: Vostrikova fullname: Vostrikova, Kira E. |
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| SubjectTerms | 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) |
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| Title | Er(III) and Yb(III) Complexes with a Tripodal Nitroxyl Radical: Magnetochemical Study and Ab Initio Calculations |
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