Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

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

Walter Cañón-Mancisidor
* ,
Patricio Hermosilla-Ibáñez
ORCID logo ,
Evgenia Spodine
* ,
Verónica Paredes-García
ORCID logo ,
Carlos J. Gómez-García
ORCID logo ,
Diego Venegas-Yazigi
* ORCID logo
Version 1 : Received: 23 May 2023 / Approved: 25 May 2023 / Online: 25 May 2023 (03:37:25 CEST)

A peer-reviewed article of this Preprint also exists.

Cañón-Mancisidor, W.; Hermosilla-Ibáñez, P.; Spodine, E.; Paredes-García, V.; Gómez-García, C.J.; Venegas-Yazigi, D. Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview. Magnetochemistry 2023, 9, 155. Cañón-Mancisidor, W.; Hermosilla-Ibáñez, P.; Spodine, E.; Paredes-García, V.; Gómez-García, C.J.; Venegas-Yazigi, D. Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview. Magnetochemistry 2023, 9, 155.

Abstract

The synthesis and structural characterization of a new triangular Cu3-3OH pyrazolato complex of formula, [Cu3(μ3-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 [Cu3(μ3-OH)(pz)3(Hpz)3](ClO4)2]2 (QOPJIP). A comparative structural analysis with other reported triangular Cu3-3OH pyrazolato complexes has been done, showing that, depending on the pyrazolato derivative, auxiliary ligand or counter-anion can affect the nuclearity and/or the dimensionality of the system. The magnetic properties of 1-Cu3 are analyzed by experimental data and DFT calculation. A detailed analysis is done on the magnetic properties comparing experimental and theoretical data of other molecular triangular Cu3-3OH 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 done, which allowed us to understand the differences in their magnetic properties.

Keywords

Cu3-3OH complex; pyrazolato ligands; trinuclear complex; Spin Frustration; magnetic susceptibility; antisymmetric exchange; DFT calculations.

Subject

Chemistry and Materials Science, Electronic, Optical and Magnetic Materials

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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