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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:
    Synthesis and Characterization of a Novel Aminoketooxime Ligand and Enzymatic Efficiencies of Its Metal Complexes
    Autorzy:
    Gorgulu, G.
    Cicek, M.
    Dede, B.
    Powiązania:
    https://bibliotekanauki.pl/articles/1029787.pdf
    Data publikacji:
    2018-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    oxime
    metal complex
    spectroscopy
    catecholase
    phenoxazinone synthase
    Opis:
    A novel aminoketooxime ligand and its mononuclear Cu(II) and Mn(II) complexes were synthesized. The structures of the synthesized compounds were illuminated by elemental analysis, inductively coupled plasma optical emission spectrometry, the Fourier transform infrared, ¹H- and ¹³C-NMR, UV-Vis, magnetic susceptibility and conductivity measurements. According to the characterization studies ligand to metal ratio was found to be 2:1 with strong binding affinity of the ligand to the metal ions. In addition, complexes have been tested for their catecholase and phenoxazinone synthase-like activities. Kinetic studies were also carried out yielding V_{max}, k_{cat} and K_{M} values of both complexes for catecholase and phenoxazinone synthase-like activities. Both complexes efficiently catalyzed the reactions of the enzymes they mimicked.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 2; 244-249
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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