Synthesis, characterization, theoretical calculations and enzymatic activities of novel diimine-dioxime ligand and its homodinuclear Cu(II) complex

DEDE B., ÖZEN N., Gorgulu G.

JOURNAL OF MOLECULAR STRUCTURE, vol.1163, pp.357-367, 2018 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1163
  • Publication Date: 2018
  • Doi Number: 10.1016/j.molstruc.2018.03.015
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.357-367
  • Süleyman Demirel University Affiliated: Yes


A novel ligand [2-(biphenyl-4-yl)-2-(2-(1-(biphenyl-4-yl)-2-(hydroxyimino) ethylideneamino)ethylimino)acetaldehyde oxime] (BPHEO) and its homodinuclear Cu(II) complex [Cu-2(L) (H2O) (Phen)](ClO4)(2) were prepared starting from biphenyl and characterized by different physical techniques. Elemental analysis, ICP-OES, FT-IR, UV-vis molar conductivity, magnetic moment measurements and thermal analyses studies were used for the characterization of the complexes. The free ligand was also characterized by H-1 and C-13 NMR spectra. Elemental analyses, stoichiometric and spectroscopic data of the metal complex indicated that the metal:ligand ratio of homodinuclear Cu(II) complex was found to be 2:1. The structural and vibrational spectroscopic data of the BPHEO and its homodinuclear Cu(II) complex were calculated and confirmed by DFT method. Chemical shifts (H-1 and C-13 NMR) of the ligand were also calculated using the gauge -independent atomic orbital (CIAO) method. Furthermore the synthesized complex was tested as catalyst for the catalytic oxidation of 3,5-di-tert-butylcatechol to 3,5-di-tertbutylquinone at aerobic medium (catecholase-like activity) and disproportionation of hydrogen peroxide to the water and molecular oxygen in the presence of 1-methylimidazole (catalase-like activity). It was found that the complex showed moderate catalytic activity and suitable as a catalyst for the selected enzymatic reactions. (C) 2018 Elsevier B.V. All rights reserved.