Two novel Cu(II) and Ni(II) quinolone-containing half-salamo-like complexes: Theoretical and experimental studies

Two novel Cu(II) and Ni(II) complexes, [Cu(L)(OAc)]center dot CH3OH (1) and [Ni(L)(OAc)] (2) formed with a newly designed quinolone-modified half-salamo-like ligand (HL) were successfully obtained. Elemental analyses, infrared spectra and UV-visible absorption spectra were employed triumphantly to characterize the complexes 1 and 2. X-ray single-crystal diffraction analysis results indicated that the complex 1 is composed of a fully deprotonated ligand (L)- unit, one Cu(II) atom and one monodentate coordinated acetate ion. For the complex 1, the central Cu(II) atom is five coordinated adopting a slightly distorted triangular biconical geometry, while the complex 2 has two independent structural units (molecules A and B), which shows chemically identical but crystallographically independent. The central Ni(II) atom is six coordinated possessing a distorted octahedral configuration. In addition, Fluorescence properties, DFT theoretical calculations and Hirshfeld surfaces analyses of the ligand HL and its corresponding complexes 1 and 2 were also investigated in detail.

Automated summary

Two novel Cu(II) and Ni(II) complexes were synthesized and characterized. The structures of the complexes were analyzed and the fluorescence properties, theoretical calculations, and surface analyses were investigated in detail.