2025-09

Inorganica Chimica Acta (القضية : 122894) (الحجم : 589)

This study presents the synthesis of two novel xanthate ligands—potassium phenylethyl xanthate (L1) and po tassium propyl xanthate (L2)—and their coordination complexes with Co(II), Ni(II), Cu(II), and Zn(II) ions. Comprehensive characterization—including elemental analysis, FT-IR, AAS, UV–Vis, and 1 H NMR spec troscopy—confirmed the bidentate coordination mode of the ligands. Conductivity measurements indicated that the complexes are non-electrolytic, while XRD data revealed crystalline formation (particle size 16–26 nm; crystallinity index 29–68 %), and magnetic susceptibility and electronic spectra adopting tetrahedral geometries. Antibacterial screening against E. coli, K. pneumoniae, S. aureus, and Streptococcus sp. revealed negligible activity for the free ligands (zones 1.5–4 mm; MIC >100 μ g/mL). Metal coordination enhanced potency, with Cu(II) complexes showing the strongest effects (zones 10.5–27 mm; MIC 6.25 μ g/mL), followed by Ni(II) and Co(II), while Zn(II) derivatives were least active. Compared with ciprofloxacin (zones 20–26 mm; MIC 0.781–3.125 g/ mL), Cu(II) complexes displayed competitive antibacterial performance, indicating their promise as alternative antimicrobial agents. Antioxidant potential, assessed via the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay, revealed that the Cu(II) and Ni(II) complexes achieved IC₅₀ (half-maximal inhibitory con centration) values between 55.0 and 77.4 μ μ M, compared to 20.7 μ M for ascorbic acid, indicating marked radical- scavenging ability. Molecular docking studies with human serum albumin (PDB 1H9Z) yielded binding affinities ranging from 4.0 to 9.2 kcal/mol, suggesting stable protein–ligand interactions. Density Functional Theory (DFT) investigations—addressing optimized structures, HOMO–LUMO energy gaps (3.044–4.756 eV), global reactivity parameters, and dipole moments—further substantiated the electronic stabilization conferred by metal coordination. Overall, this integrative experimental and computational study underscores the potential of these xanthate-based metal complexes as chemically stable and biologically active agents

2024-06

AIP Conference Proceedings (القضية : 1) (الحجم : 2944)

New complexes and adducts of xanthate of the general formula [M(2-MeOEtXant)2] and [M(2-MeOEtXant)2.nL] Where M= Mn(II) Fe(II), Co(II), Ni(II), Cu(II) and Zn(II), and (2-MeoEtXant)=2-Methoxyethylxanthate, and when n=2 L= Pyridine, Piperidine & Quinoline when n=1, L= ethylenediamine, (1,10)-phenanthroline, have been prepared and characterized on the basis of their physical properties by using spectral methods 1H-NMR, 13C-NMR, FTIR,XRD, metal analysis, electronic spectra and magnetic properties. Based on effective magnetic moment and electronic spectra, the complexes of the type [M(2-MeOEtXant)2] indicate a tetrahedral geometry while the complexes of the type[M(2-MeOEtxant)2.nL] have an octahedral geometry. The density functional theory (DFT) calculations of ligand and their complexes were performed by the DFT/B3LYP/6-311++G(d,p) method to obtain the optimized molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), thermodynamic parameters and other various electronic properties.

2024-05

Science Journal of University of Zakho (القضية : 26636298) (الحجم : 12)

This study introduces a new series of complexes and adducts, denoted by [M(2-PhOEtXant)2.nL], where M represents Mn(II), Fe(II), Co(II), or Ni(II), and the ligand (2-PhOEtXant) is 2-Phenoxyethylxanthate. Varying ligands, including pyridine, piperidine, quinoline, ethylenediamine, and (1,10)-phenanthroline, are explored based on the value of n. Comprehensive characterization, encompassing techniques like 1H-NMR, 13C-NMR, FTIR, AA, CHN analysis, UV-visible spectroscopy, and magnetic property measurements, is employed. Results indicate an octahedral geometry for these complexes, as revealed by effective magnetic moment measurements and electronic spectra analysis. The compounds exhibit noteworthy antioxidant properties, demonstrated through the DPPH radical scavenging method, highlighting their potential as effective antioxidants. Moreover, the complexes display enhanced antibacterial activity against microbial strains compared to free ligands. This research not only delves into the coordination chemistry of these complexes but also underscores their diverse applications. Combining experimental methods with computational insights using Density Functional Theory (DFT) enhances the understanding of dithiolate transition metal complexes. The alignment of computational and experimental outcomes strengthens the reliability of the findings, laying a robust foundation for interdisciplinary exploration. The identified potential applications in optoelectronics, along with the notable antioxidant and antibacterial activities, position these complexes as promising contenders for advanced technologies and scientific applications

2023-11

ORIENTAL JOURNAL OF CHEMISTRY (القضية : 0970) (الحجم : 39)

The research focuses on the synthesis and characterization of a novel xanthate ligand and their complexes with the formula [M(PhOEtXant)2], where M represents as Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II), and PhOEtXant stands for 2-Phenoxyethylxanthate. The antioxidant activities of these complexes will be evaluated by comparing them with standard natural antioxidants and ascorbic acid using the (DPPH) assay. The synthesized complexes were thoroughly characterized based on their physical properties using various spectral methods, like XRD, FTIR, NMR, AA, UV-Visible, magnetic properties, and conductivity measurements. The complexes are nonelectrolytes, according to molar conductance measurements. Infrared spectra revealed that the ligand acts as a neutral bidentate moiety in all the compounds. Electronic spectra and effective magnetic moments suggested that the compounds exhibit a tetrahedral shape, which is supported by the experimental data. For further insights into the geometry, bond length, bond angle, electronic characteristics, and thermodynamic factors of the synthesized compounds, a density functional theory (DFT) approach with the basis set GGA-PBE was employed for optimization. The antioxidant evaluation using the DPPH assay demonstrated that all the complexes displayed significant radical scavenging activity when compared to the standard ascorbic acid. Remarkably, the Cu, Zn, Ni, and Mn complexes showed superior radical scavenging activities compared to the other complexes and the standard ascorbic acid. Overall, this research highlights the promising potential of the synthesized complexes as effective antioxidants, showcasing their value for further exploration in various applications related to antioxidant research and potentially in therapeutic contexts. The comprehensive characterization using a range of spectroscopic and computational techniques provides valuable insights into their structure and properties, supporting their potential applications in diverse fields of chemistry.

2023-11

ORIENTAL JOURNAL OF CHEMISTRY (القضية : 0970) (الحجم : 39)

The research focuses on the synthesis and characterization of a novel xanthate ligand and their complexes with the formula [M(PhOEtXant)2], where M represents as Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II), and PhOEtXant stands for 2-Phenoxyethylxanthate. The antioxidant activities of these complexes will be evaluated by comparing them with standard natural antioxidants and ascorbic acid using the (DPPH) assay. The synthesized complexes were thoroughly characterized based on their physical properties using various spectral methods, like XRD, FTIR, NMR, AA, UV-Visible, magnetic properties, and conductivity measurements. The complexes are nonelectrolytes, according to molar conductance measurements. Infrared spectra revealed that the ligand acts as a neutral bidentate moiety in all the compounds. Electronic spectra and effective magnetic moments suggested that the compounds exhibit a tetrahedral shape, which is supported by the experimental data. For further insights into the geometry, bond length, bond angle, electronic characteristics, and thermodynamic factors of the synthesized compounds, a density functional theory (DFT) approach with the basis set GGA-PBE was employed for optimization. The antioxidant evaluation using the DPPH assay demonstrated that all the complexes displayed significant radical scavenging activity when compared to the standard ascorbic acid. Remarkably, the Cu, Zn, Ni, and Mn complexes showed superior radical scavenging activities compared to the other complexes and the standard ascorbic acid. Overall, this research highlights the promising potential of the synthesized complexes as effective antioxidants, showcasing their value for further exploration in various applications related to antioxidant research and potentially in therapeutic contexts. The comprehensive characterization using a range of spectroscopic and computational techniques provides valuable insights into their structure and properties, supporting their potential applications in diverse fields of chemistry.

2020-06

Asian Journal of Applied Chemistry Research (القضية : 1) (الحجم : 6)

Experimental design DoE (box behnken design BBD) and statistical analysis approaches were employed to determine the effect of Congo red dye (C.R) concentration, photo catalyst dose (Fe+2) and follow of oxygen gas as an oxidant on the degradation of C.R. The results show that the concentration oppositely affects the degradation yield whereas the remaining two factors show positive effect, throughout all experiments oxygen molecule shows crucial role in their positive effect with p-value about 0.01 which is very significant value. The accepted regression model was linear with significance p-value 0.032 that mean all factors show good agreement in linear relationship and the interactions was not important. Degradation kinetics was also applied to investigate the effect of increasing dye concentration on degradation rate constant with and without photo catalyst dose and oxidant (O2). It appears that the degradation of peak at 498nm is second order The result was in good agreement with that of statistical analysis that are 0.0435, 0.0545 and 5.4 M-min with photo catalysis 12, 8 and 4 PPM dye, 4O2 mL/min,20PPM Fe+2 respectively, in case without photocatalyst the results were 0.0025 and 0.0207 M-min-with 12 and 4 PPM in turn.

2020-04

International Research Journal of Pure & Applied Chemistry (القضية : 5) (الحجم : 21)

The adsorption of Fast Green (FG) dye on pristine multi-walled carbon nanotubes (CNTs) was investigated in this study. The adsorption was carried out under different operating conditions. The operating conditions were contact time, adsorbent dosage, initial dye concentration, the pH of the solution and temperature. The analysis of results found that the removal percentage of FG dye on CNTs decreases with increase in initial FG concentration. It was found that the increasing of CNTs dosage enhanced the efficiency of dye removal. It was also found that the increasing of temperature significantly enhanced the removal percent of FG dye and it is indicated that the adsorption of FG dye on CNTs was in endothermic nature. The study reports that the best pH of solution for the adsorption of FG on CNTs were 4. The adsorption data have been analyzed using Langmuir and Freundlich. Fitting the equilibrium adsorption data by Langmuir and Freundlich models shows that experimental data well explained by the Langmuir equation.

2020-03

Science Journal of University of Zakho (القضية : 1) (الحجم : 8)

Series of new Schiff bases and their derivatives (Oxazepine) have been synthesized during two steps. The first step synthesis of imines derivatives (1-10) by the condensation reaction of 1, 7-diaminohepatane and 1,8-diaminooctane with different substituted aromatic aldehydes by using glacial acetic acid as catalyst. The second step includes reaction of the prepared Schiff bases derivatives with phathalic anhydride in dry benzene to obtain seven -membered heterocyclic ring derivatives (1 1-15). The biological activities of some prepared compounds were also studied against different kinds of bacteria. The new derivatives were confirmed by suing a range of experimental techniques including 1HNMR, 13C NMR, IR and Mass spe ctra.

2019-09

Research Journal of Chemistry and Environment (القضية : 9) (الحجم : 23)

New Schiff base compounds have been prepared. Various aliphatic and aromatic ketones were condensed with naphthalene-1, 5-diamine to yield the desired Schiff bases. The structures of all the new products obtained in the present work are supported by spectral and analytical data (IR, NMR and Mass spectroscopy). Furthermore, the biological activity of Schiff Bases compounds was tested against two types of bacteria gram positive for the dye (Staphylococcus aureus) and gram-negative dye (E.Coli).