Analysis of supramolecular self-assembly in μ-phenoxide bridged heterocyclic β-diketone dinuclear Cu (II) complex

Abstract

By introducing mixed-ligands (β-diketone and 8-hydroxyquinoline) to the Cu^2 + ion, a new µ-phenoxide bridged binuclear complex was designed. The compound was synthesized using condensation method, and the single crystals were grown through the slow evaporation technique. The compound was characterized by energy dispersive X-ray analysis, Fourier-transform infrared spectroscopy and single-crystal X-ray diffraction technique. Structural analysis revealed that the compound is in the centrosymmetric dinuclear form, in which a central copper atom is linked by the obtuse phenolate oxygen atom. The center of inversion is located at the intersection of the two diagonals of the Cu₂O₂ rhombus core within the dinuclear unit. The molecular arrangements influenced by the bridged phenolate oxygen, in which the chelating five-membered ring puckers with an envelope conformation. The crystal packing of individual motifs is facilitated by various supramolecular interactions, including hydrogen bonds, C-H…π and π…π interactions is explored by structural and computational studies. The similar type of crystal structures was extracted from the Cambridge Structural Database (CSD) allows for the exploration of structural similarities and the establishment of structure-property relationships by combined crystallographic and computational studies. Further, the copper complex-modified electrode exhibited a strong signal for dopamine oxidation, demonstrating a linear response and a low detection limit. This indicates effective structural modification, enhanced sensing capability, and promising potential for biomedical applications.