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, cilt.1163, ss.357-367, 2018 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 1163
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1016/j.molstruc.2018.03.015
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Sayfa Sayıları: ss.357-367

Özet

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.