Spectroscopic, thermal, antimicrobial and molecular modeling studies of mononuclear pentafunctional Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Adly, omima; Taha, A; Fahmy, SA;
Abstract
A new pentafunctional N3 O2 Schiff base, H2 L ligand, and its metal chelates with Cu(II), Ni(II), Co(II), VO(IV), Zn(II), Cd(II), Ce(III), Cr(III), Fe(III) and UO2 (VI) have been synthesized and characterized by elemental analysis, spectral, molar conductance, magnetic and thermal gravimetric studies. The results showed that the complexes have octahedral geometry except UO2 complex which has pentagonal bipyramidal arrangement. The TGA analyses suggest high stability for most complexes followed by thermal decomposition in different steps. The kinetic and thermodynamic parameters for decomposition steps of metal complexes thermograms have been calculated. Molecular orbital calculations were performed for the ligand and its metal complexes by means of hyperchem 7.52 program on the bases of semiempirical PM3 level and the results were correlated with the experimental data. The antimicrobial activity of the synthesized compounds were tested in vitro against some Gram-positive and Gram-negative bacteria; yeast and fungus strains and the results were discussed in terms of extended Lewis acid-base interactions.
Other data
Title | Spectroscopic, thermal, antimicrobial and molecular modeling studies of mononuclear pentafunctional Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione | Authors | Adly, omima ; Taha, A; Fahmy, SA | Keywords | ZN(II) COMPLEXES;5-Acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione;Molecular modeling;Antimicrobial activity;N3O2 pentafunctional;Lewis acid-base;COPPER(II) COMPLEXES;CRYSTAL-STRUCTURES;ANTIFUNGAL ACTIVITY;PENTADENTATE LIGAND;NI(II) COMPLEXES;ANTIBACTERIAL;CO(II);CU(II);BINUCLEAR | Issue Date | 2015 | Publisher | ELSEVIER SCIENCE BV | Journal | Journal of Molecular Structure | ISSN | 0022-2860 | DOI | 10.1016/j.molstruc.2014.10.052 | Scopus ID | 2-s2.0-84920720975 | Web of science ID | WOS:000348879500058 |
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