Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview

Walter Cañón-Mancisidor, Patricio Hermosilla-Ibáñez, Evgenia Spodine, Verónica Paredes-García, Carlos J. Gómez-García, Diego Venegas-Yazigi

Research output: Contribution to journalArticlepeer-review

Abstract

The synthesis and structural characterization of a new triangular Cu3–μ3OH pyrazolato complex of formula, [Cu33−OH)(pz)3(Hpz)3][BF4]2 (1−Cu3), Hpz = pyrazole, is presented. The triangular unit forms a quasi-isosceles triangle with Cu–Cu distances of 3.3739(9), 3.3571(9), and 3.370(1) Å. This complex is isostructural to the hexanuclear complex [Cu33−OH)(pz)3(Hpz)3](ClO4)2]2 (QOPJIP). A comparative structural analysis with other reported triangular Cu3–μ3OH pyrazolato complexes has been carried out, showing that, depending on the pyrazolato derivative, an auxiliary ligand or counter-anion can affect the nuclearity and/or the dimensionality of the system. The magnetic properties of 1−Cu3 are analyzed using experimental data and DFT calculation. A detailed analysis was performed on the magnetic properties, comparing experimental and theoretical data of other molecular triangular Cu3–μ3OH complexes, showing that the displacement of the μ3−OH from the Cu3 plane, together with the type of organic ligands, influences the nature of the magnetic exchange interaction between the spin-carrier centers, since it affects the overlap of the magnetic orbitals involved in the exchange pathways. Finally, a detailed comparison of the magnetic properties of 1−Cu3 and QOPJIP was carried out, which allowed us to understand the differences in their magnetic properties.

Original languageEnglish
Article number155
JournalMagnetochemistry
Volume9
Issue number6
DOIs
Publication statusPublished - Jun 2023

Keywords

  • antisymmetric exchange
  • Cu–μOH complex
  • DFT calculations
  • magnetic susceptibility
  • pyrazolato ligands
  • spin frustration
  • trinuclear complex

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Chemistry (miscellaneous)
  • Materials Chemistry

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