Abstract

Two new Cu^II linear trinuclear Schiff base complexes, [Cu₃(L)₂(CH₃COO)₂] (1) and [Cu₃(L)₂(CF₃COO)₂] (2), have been prepared using a symmetrical Schiff base ligand H₂L [where H₂L = N, N′-bis(2-hydroxyacetophenone)propylenediimine]. Both of the complexes have been characterized by elemental analyses, Fourier transform IR, UV/vis, and electron paramagnetic resonance spectroscopy. Single-crystal X-ray structures show that the adjacent Cu^II ions are linked by double phenoxo bridges and a μ²−η¹:η¹ carboxylato bridge. In each complex, the central copper atom is located in an inversion center with distorted octahedral coordination geometry, while the terminal copper atoms have square-pyramidal geometry. Cryomagnetic susceptibility measurements over a wide range of temperature exhibit a distinct antiferromagnetic interaction of J = −36.5 and −72.3 cm⁻¹ for 1 and 2, respectively. Density functional theory calculations (B3LYP functional) and continuous-shape measurement (CShM) studies have been performed on the trinuclear unit to provide a qualitative theoretical interpretation of the antiferromagnetic behavior shown by the complexes.

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