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    Wyświetlanie 1-3 z 3
    Tytuł:
    Synthesis, Characterization and DFT Calculations of 4-((2-Hydroxyethyl)imino)naphthalen-1(4H)-One and its Cu(II) Complex
    Autorzy:
    Gorgulu, G.
    Dede, B.
    Powiązania:
    https://bibliotekanauki.pl/articles/1029785.pdf
    Data publikacji:
    2018-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    Schiff base
    quinone
    metal complex
    spectroscopy
    copper(II)
    DFT
    Opis:
    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.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 2; 239-243
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spectroscopic Properties and Quantum Chemical Calculations of Novel Diimine Molecules and their Mononuclear Cu(II) Complexes
    Autorzy:
    Dede, B.
    Gorgulu, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1029792.pdf
    Data publikacji:
    2018-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    Schiff base
    diimine
    metal complex
    spectroscopy
    copper(II)
    DFT
    Opis:
    Two novel Schiff base ligands, 2,2'-((pentane-2,4-diylidene)bis(azanylylidene))bis(4-chlorophenol) and 2,2'-((pentane-2,4-diylidene)bis(azanylylidene))bis(4-methylphenol) were prepared by condensation reaction of acetylacetone with 2-amino-4-chlorophenol and 2-amino-4-methylphenol, respectively. Mononuclear Cu(II) complex of each ligand was also synthesized. These compounds were characterized by elemental analyses, inductively coupled plasma optical emission spectrometry, the Fourier transform infrared spectra, UV-Vis, molar conductivity, and magnetic susceptibility measurements. The ligands have been further characterized by ¹H- and ¹³C-NMR. The results suggest that the metal complexes of the ligands have a metal:ligand ratio of 1:1 and the Cu(II) ions are coordinated by the phenolic oxygen atoms and imine nitrogen atoms of the ligands. Moreover, the quantum chemical calculations of the compounds have been performed using the density functional theory. It has been found that the calculated spectroscopic values are in a good agreement with experimental data.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 2; 256-262
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Bioactive 3-methyl-2,6-diarylpiperidin-4-one, oxime and its copper(II) complex
    Autorzy:
    Thirunarayanan, G.
    Lakshmanan, K.
    Powiązania:
    https://bibliotekanauki.pl/articles/1070862.pdf
    Data publikacji:
    2019
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Antimicrobial activities
    Copper(II) complex
    Disc diffusion
    Drug dilution
    Piperidine-4-one
    Piperidine-4-oneoxime
    Opis:
    namely 3-methyl-2,6-diphenylpiperidin-4-oneoxime and copper(II) complex of this oxime was prepared by literature procedure. The purities of these ketone, oxime and copper complex was analyzed by physico-chemical and spectroscopic methods reported in the literature. The physicochemical analysis results confirmed that the structure of the complex was distorted octahedral. The antimicrobial activities of these substrates such as ketone, oxime and its copper complex were investigated using Bauer-Kirby disc diffusion technique against several antimicrobes by measuring the mm of zones of inhibitions. Further these activities were concluded using drug dilution method. From the analysis report, the copper (II) complex of the oxime shows significant antimicrobial activities against their antimicrobial stains. The oxime shows moderate antimicrobial activity. The ketone shows satisfactory antibacterial and antifungal activities against their stains in both disc diffusion and drug dilution methods.
    Źródło:
    World Scientific News; 2019, 123; 124-140
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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