A Cu12 Metallacycle Assembled from Four C3-Symmetric Spin Frustrated Triangular Units - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Magnetochemistry Année : 2023

A Cu12 Metallacycle Assembled from Four C3-Symmetric Spin Frustrated Triangular Units

Résumé

Assembling metallacycles with interesting topological arrangements is a critical task for chemists. We report here a novel dodecanuclear CuII compound, [{Cu3L(µ-N3)}4(Py)14]·2Py (Cu12) (where Py = pyridine and [H6L]Cl = tris(2-hydroxybenzylidine)triaminoguanidinium chloride, respectively), with the topology of a cycle accomplished by four two-connecting approximately flat C3-symmetric guanidine-based ligands. Each ligand affords three tridentate metal-binding cavities and the four node-to-node connections through single azido bridges are provided by pairs of metal centers. A theoretical investigation using CASSCF in addition to DFT calculations showed strong antiferromagnetic coupling within the Cu3-triangles, resulting in spin-frustrated systems. However, these calculations were not able to properly reproduce the very weak antiferromagnetic couplings between the triangle units, highlighting the challenge of describing the magnetic behavior of this compound. © 2023 by the authors.
Fichier principal
Vignette du fichier
magnetochemistry_version_HAL.pdf (829.34 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-04128303 , version 1 (30-01-2024)

Identifiants

Citer

Basharat Ali, Grégoire David, Frédéric Gendron, Xiao-Lei Li, Olivier Cador, et al.. A Cu12 Metallacycle Assembled from Four C3-Symmetric Spin Frustrated Triangular Units. Magnetochemistry, 2023, 9 (5), pp.122. ⟨10.3390/magnetochemistry9050122⟩. ⟨hal-04128303⟩
20 Consultations
1 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More