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Spin Frustrated Pyrazolato Triangular Cu<sup>II</sup> Complex: Structure and Magnetic Properties, an Overview
oleh: Walter Cañón-Mancisidor, Patricio Hermosilla-Ibáñez, Evgenia Spodine, Verónica Paredes-García, Carlos J. Gómez-García, Diego Venegas-Yazigi
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2023-06-01 |
Deskripsi
The synthesis and structural characterization of a new triangular Cu<sub>3</sub>–μ<sub>3</sub>OH pyrazolato complex of formula, [Cu<sub>3</sub>(μ<sub>3</sub>−OH)(pz)<sub>3</sub>(Hpz)<sub>3</sub>][BF<sub>4</sub>]<sub>2</sub> (<b>1−Cu<sub>3</sub></b>), 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 [Cu<sub>3</sub>(μ<sub>3</sub>−OH)(pz)<sub>3</sub>(Hpz)<sub>3</sub>](ClO<sub>4</sub>)<sub>2</sub>]<sub>2</sub> (<b>QOPJIP</b>). A comparative structural analysis with other reported triangular Cu<sub>3</sub>–μ<sub>3</sub>OH 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 <b>1−Cu<sub>3</sub></b> 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 Cu<sub>3</sub>–μ<sub>3</sub>OH complexes, showing that the displacement of the μ<sub>3</sub>−OH<sup>−</sup> from the Cu<sub>3</sub> 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 <b>1−Cu<sub>3</sub></b> and <b>QOPJIP</b> was carried out, which allowed us to understand the differences in their magnetic properties.