Structural variety in copper(II) complexes of 3-formylchromone: Synthesis, spectral, thermal, molecular modeling and biological studies
Shebl, Magdy; A. Taha; N.N. Elabd; Adly, omima;
Abstract
The compound in the title (L) was synthesized and reacted with Cu(II) metal ion with different anions (OAc−, NO3−, SO42–, ClO4−, Cl− and Br−) in absence and presence of auxiliary ligands (L′); N,O-donor; or N,N-donor; to form binary and ternary Cu(II)-chelates. The metal complexes were fully characterized by analytical and spectral techniques in addition to thermal, conductivity and magnetic susceptibility measurements. The obtained results showed that the ligand behaves as a neutral bidentate, forming chelates with molar ratios: 1:1, 1:2 and 1:3; M:L for binary and 1:2:1 and 1:1:1; M:L:L′ for ternary complexes, which can be formulated as: [LmCuXn(H2O)y]·zH2O, m = 1 or 2, n = 0, 1 or 2, X = OAc−, SO42−, Cl− or Br−, y = 0 or 2, z = 0 or 0.5; [LmCu(H2O)n]X2·zMeOH, m = 2 or 3, n = 0 or 2, X = ClO4− or NO3−, z = 0 or 1 and [Lm L'Cu(H2O)n](NO3)x·yS, m = 1 or 2, n = 0 or 2, X = 1 or 2, y = 0.5 or 4, S = H2O or MeOH. The ESR spin Hamiltonian parameters of some complexes were calculated. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats–Redfern equations. The structural parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data. The metal complexes exhibited octahedral and square planar geometrical arrangements according to the nature of the anion. The ligand and its metal complexes showed antibacterial activity towards Gram–positive bacteria, Gram–negative bacteria, yeast and fungus.
Other data
Title | Structural variety in copper(II) complexes of 3-formylchromone: Synthesis, spectral, thermal, molecular modeling and biological studies | Authors | Shebl, Magdy ; A. Taha; N.N. Elabd; Adly, omima | Keywords | 4,6-DIACETYLRESORCINOL;3-Formylchromone;Binary and ternary complexes;ESR spectra;Molecular modeling;Antimicrobial activity;BINUCLEAR METAL-COMPLEXES;SCHIFF-BASE LIGAND;DNA-BINDING PROPERTIES;ANTIMICROBIAL ACTIVITY;SPECTROSCOPIC CHARACTERIZATION;CU(II) COMPLEXES;ELECTRONIC-PROPERTIES;DINITROGEN BASES;IONS SYNTHESIS | Issue Date | 2017 | Publisher | ELSEVIER SCIENCE BV | Journal | Journal of Molecular Structure | Volume | 1147 | Start page | 438 | End page | 451 | ISSN | 0022-2860 | DOI | 10.1016/j.molstruc.2017.06.085 | Scopus ID | 2-s2.0-85021628644 | Web of science ID | WOS:000408299900050 |
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