期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 75, 期 2, 页码 533-542出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2009.11.007
关键词
Copper complexes; Spectroscopy; Molecular modeling; Antimicrobial
类别
Six Cu(II) complexes of 2-(2-(ethylcarbamothioyl)hydrazinyl)-2-oxo-N-phenylacetainide (H(3)APET) have been prepared and characterized by elemental analyses, spectral (IR, UV-vis, H-1 NMR and ESR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as ON bidentate, ONS tridentate or ONNS tetradentate forming structure in which each copper atom is a tetrahedral or tetragonal environment. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. Kinetic parameters were determined for each thermal degradation stage of the Cu(II) complexes using Coats-Redfern and Horowitz-Metzger methods. Moreover, the ligand and its complexes were screened against bacteria Staphylococcus aureus, Escherichia coli, Candida and fungi, Albicans and Aspergillus flavus using the inhibitory zone diameter. (C) 2009 Elsevier B.V. All rights reserved.
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