مشخصات پژوهش

خانه /Coordination chemistry, ...
عنوان
Coordination chemistry, thermodynamics and DFT calculations of copper(II) NNOS Schiff base complexes
نوع پژوهش مقالات در نشریات
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چکیده
Synthesis, magnetic and spectroscopy techniques are described for five copper(II) containing tetradentate Schiff bases are synthesized from methyl-2-(N-20-aminoethane), (1-methyl-20-aminoethane), (3-aminopropylamino) cyclopentenedithiocarboxylate. Molar conductance and infrared spectral evidences indicate that the complexes are four-coordinate in which the Schiff bases are coordinated as NNOS ligands. Room temperature leff values for the complexes are 1.71–1.80 B.M. corresponding to one unpaired electron respectively. The formation constants and free energies were measured spectrophotometrically, at constant ionic strength 0.1 M (NaClO4), at 25C in DMF solvent. Also, the DFT calculations were carried out to determine the structural and the geometrical properties of the complexes. The DFT results are further supported by the experimental formation constants of these complexes.
پژوهشگران شیدا اسماعیل زاده (نفر اول)، لیلا عظیمیان (نفر دوم)، خدیجه شکوهی (نفر سوم)، خسرو محمدی (نفر چهارم)