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

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dc.creator DEDE, Bülent
dc.creator Gorgulu, G.
dc.date 2018-01-31T21:00:00Z
dc.date.accessioned 2020-10-06T11:21:34Z
dc.date.available 2020-10-06T11:21:34Z
dc.identifier ba9af2a3-92f9-417a-8fa6-b72877ce3213
dc.identifier 10.12693/aphyspola.133.239
dc.identifier https://avesis.sdu.edu.tr/publication/details/ba9af2a3-92f9-417a-8fa6-b72877ce3213/oai
dc.identifier.uri http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/70537
dc.description 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.
dc.language eng
dc.rights info:eu-repo/semantics/closedAccess
dc.title Synthesis, Characterization and DFT Calculations of 4-((2-Hydroxyethyl)imino)naphthalen-1(4H)-One and its Cu(II) Complex
dc.type info:eu-repo/semantics/article


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