کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1404960 1501731 2015 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X = Br and SCN−)
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X = Br and SCN−)
چکیده انگلیسی


• Two cobalt(II) complexes of type [Co(X)2(dmphen)] (X = Br, NCS) were synthesized.
• Antimicrobial properties of these complexes were assessed.
• X-ray crystal structures for the two complexes were described.
• The absorption spectrum of these complexes in acetone was modeled (TD-DFT).

Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1–2) (where dmphen is 2,9-dimethyl-1,10-phenanthroline and 1 (X = Br), 2 (X = NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV–visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C–S bond is less negative than the corresponding values in the π-region of S atom. This agrees with the observed geometrical arrangement of C–H⋯S–C hydrogen bonding interactions, the avg. of H⋯S–C angle is 81°. Antimicrobial properties of cobalt(II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1086, 15 April 2015, Pages 153–160
نویسندگان
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