Synthesis, Characterization and DFT Calculations of 4-((2-Hydroxyethyl)imino)naphthalen-1(4H)-One and its Cu(II) Complex

Gorgulu G., DEDE B.

ACTA PHYSICA POLONICA A, vol.133, no.2, pp.239-243, 2018 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 133 Issue: 2
  • Publication Date: 2018
  • Doi Number: 10.12693/aphyspola.133.239
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.239-243


We have reported herein the synthesis of a novel quinone derivative ligand containing the Schiff base and its Cu(II) complex starting from 1,4-naphthoquinone. Synthesized compounds were characterized using the Fourier transform infrared, UV-Vis, elemental analysis, inductively coupled plasma optical emission spectrometry, molar conductivity, and magnetic susceptibility measurements. The free ligand was also characterized by H-1- and C-13-NMR spectra. Elemental analyses, stoichiometric and spectroscopic data indicated that the metal: ligand ratio is 1:2 and octahedral structure is proposed for the metal complex of the Schiff base ligand. Computational quantum calculations were also performed using DFT/B3LYP level of theory with 6-311++G(d,p) basis set for the synthesized ligand. It was found that the experimental and theoretical spectroscopic data were consistent.