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, cilt.133, ss.239-243, 2018 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 133 Konu: 2
  • Basım Tarihi: 2018
  • Doi Numarası: 10.12693/aphyspola.133.239
  • Dergi Adı: ACTA PHYSICA POLONICA A
  • Sayfa Sayıları: ss.239-243

Özet

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.