Novel Linear Trinuclear Cu-II Compound with Trapped Chiral Hemiaminal Ligand: Magnetostructural Study - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Magnetochemistry Année : 2023

Novel Linear Trinuclear Cu-II Compound with Trapped Chiral Hemiaminal Ligand: Magnetostructural Study

Résumé

A new trinuclear Cu-II compound {[Cu-3(HL and PRIME;)(2)(H2O)(2)](ClO4)(4)}and BULL;(H2O)(4) (1) was obtained and presented a trapped chiral hemiaminal (HL2 and PRIME; = [(5-amino-4H-1,2,4-triazol-3-yl)amino](1H-imidazol-4-yl)methanol)). Compound 1 shows an almost flat cationic structure [Cu-3(HL and PRIME;)(2)(H2O)(2)](4+) with a Cu-3 linear core reached by the double Cu-OR/NN-Cu triazole/alkoxo bridge of the hemiaminal molecule. The Cu-II spin carriers are antiferromagnetically coupled, presenting a spin doublet ground state (S = 1/2) with a magnetic coupling constant of -179 cm(-1). Moreover, DTF calculations show that the planarity of the compound permits a sigma-type overlapping between the unpaired electrons of the spin carriers and the p-type orbitals of the coordinated N and O atoms producing an electronic delocalization through the bridging ligand responsible for the strong antiferromagnetic interactions observed experimentally.

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Chimie
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hal-04193314 , version 1 (01-09-2023)

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Carlos Cruz, Nathalie Audebrand, Dayán Páez-Hernández, Veronica Paredes-Garcia. Novel Linear Trinuclear Cu-II Compound with Trapped Chiral Hemiaminal Ligand: Magnetostructural Study. Magnetochemistry, 2023, 9 (7), pp.175. ⟨10.3390/magnetochemistry9070175⟩. ⟨hal-04193314⟩
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