Theoretical and solid-state structures of three new macroacyclic Schiff base complexes and the investigation of their anticancer, antioxidant and antibacterial properties.

ABSTRACT: Three symmetrical macroacyclic Schiff base complexes were prepared from a ligand derived from the condensation reaction of 1,4-bis(2-aminophenyl)piperazine and salicylaldehyde (L) with Cu(ii), Ni(ii) and Co(ii) perchlorates. The ligand and the Schiff base complexes were characterized by elemental analyses, UV-vis, FT-IR and mass spectrometry, with the structure of [CoL] being determined by a single crystal X-ray structural analysis. In this complex, the cobalt is in a distorted trigonal prismatic coordination environment, surrounded by the six donor atoms of the deprotonated hexadentate ligand. In order to compare the experimental and theoretical data and determine structure parameters in all complexes, Density Functional Theory (DFT) calculations at the B3lyp and BP86 levels with Def2-TZV

SUBMITTER: Rezaei MT 

PROVIDER: S-EPMC10031571 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature