Synthesis, Characterization and DFT Calculations of 4-((2-Hydroxyethyl)imino)naphthalen-1(4H)-One and its Cu(II) Complex |
| G. Gorgulua and B. Dede b
aFaculty of Education, Mehmet Akif Ersoy University, Burdur, Turkey bFaculty of Science and Arts, Süleyman Demirel University, Isparta, Turkey |
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| 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 1H- and 13C-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. |
DOI: 10.12693/APhysPolA.133.302 topics: Schiff base, quinone, metal complex, spectroscopy, copper(II), DFT |