Synthesis, molecular geometry, spectroscopic studies and thermal properties of Co(II) complexes

Mohamed

Mahmoud

et al. 2019

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A novel Schiff base ligand, namely 2,2′‐((1E,1′E)‐(1,3‐phenylenebis(azanylylidene))bis(methanylylidene))diphenol (H2L), was synthesized by condensation of m‐phenylenediamine and 2‐hydroxybenzaldehyde (in 1:2 ratio). Series of complexes were obtained from the reaction of La(III), Er(III) and Yb(III) chlorides with H2L. The ligand and complexes were characterized using elemental analysis, infrared, 1H NMR, UV–visible and mass spectroscopies, magnetic susceptibility and conductivity measurements and thermal analysis. Infrared and 1H NMR spectra indicated the coordination of the azomethine nitrogens and deprotonated phenolic oxygen atoms in a tetradentate manner (ONNO). The thermal behaviour of the complexes was studied from ambient temperature to 1000°C. The complexes were found to have water molecules of hydration and coordinated water molecules. The complexes were found to possess high biological activities against various organisms compared to the free ligand (Gram‐positive bacteria Staphylococcus aureus and Bacillus subtilis, Gram‐negative bacteria Salmonella sp., Escherichia coli and Pseudomonas aeruginosa and fungi Aspergillus fumigatus and Candida albicans). The more effective and probable binding modes between H2L with different active sites of colon cancer (PDB code: 2hq6) and lung cancer (PDB code: 1x2j) receptors were investigated using molecular docking studies.

Section: Resultsmentioning

confidence: 99%

Inner metal complexes of tetradentate Schiff base: Synthesis, characterization, biological activity and molecular docking studies

Mohamed

Mahmoud

et al. 2019

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“…[6,15] IR spectrum of cobalt(II) polymer complex shows that the acetate group coordinate to Co(II) ion in a bidentate manner where the difference between the asymmetric and symmetric stretching vibrations of the acetate group is Δυ ≤ 180 cm −1 . [7] The electronic spectrum shows bands at 9620 cm −1 ( 4 T 1g → 4 T 2g (F)) (υ 1 ), 15210 cm −1 ( 4 T 1g → 4 A 2g ) (υ 2 ) and 18700 cm −1 ( 4 T 1g (F) → 4 T 1g (P)) (υ 3 ), suggesting that there is an octahedral geometry around Co(II) ion. [6] Various ligand field parameters for the polymer complex were calculated and listed in Table 4.…”

Section: Cobalt(ii) Polymer Complexmentioning

confidence: 97%

“…This has been confirmed by the bands in the 560-575 cm −1 range and it is assigned to the υ(M-O). [7] In Co(II) and Ni(II) polymer complexes (1 and 2), the bands of coordinated water observed at8 54 and~745 cm −1 , are assigned to ρ r (H 2 O) and ρ w (H 2 O), respectively. Moreover, strong evidence for the presence or absence of water of crystallization and/or coordinated water supported by the thermograme of all the polymer complexes.…”

Section: Manganese(ii) Polymer Complexmentioning

confidence: 97%

“…The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for keto hydrazone form (C) of HL is presented in Figure S2. Quantum chemical parameters of forms (A-C) of HL such as HOMO-LUMO energy gap (ΔE), absolute electro negativities (χ), chemical potentials (Pi), absolute hardness (η), absolute softness (σ), global softness (S) and additional electronic charge (ΔN max ) are calculated and given in Table 2 according to the following equations: [7,15]…”

Section: Geometrical Structure and Molecular Docking Of Hlmentioning

confidence: 99%

“…[4] Azo dyes derived from heterocyclic amine or derivatives aniline containing nitrogen in their aromatic rings and their metal complexes have been receiving the attention of research groups due to their biological activities as antitumor, [5] antibacterial [6] and antifungal. [7] These compounds are now in good demands as optical and conducting organic materials. [8][9][10][11] Azo dyes derived from derivatives aniline moiety and its metal complexes have variety of applications in biological, analytical and pharmamacological areas.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Polymer complexes. LXXI. Spectroscopic studies, thermal properties, DNA binding and antimicrobial activity of polymer complexes

El‐Sonbati

Morgan³

et al. 2018

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Polymer complexes of Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) were prepared by the reaction of 3‐allyl‐5‐[(4‐nitrophenylazo)]‐2‐thioxothiazolidine‐4‐one (HL) with metal ions. The structure of polymer complexes was characterized by elemental analysis, IR, UV–Vis spectra, X‐ray diffraction analysis, magnetic susceptibility, conductivity measurements and thermal analysis. Reaction of HL with Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) ions (acetate or chloride) give polymer complexes (1–5) with general stoichiometric [M(L)(O2CCH3)(H2O)2]n (where L = anionic of HL and M = Co(II) (1) or Ni(II) (2)), [Mn(HL)2(OCOCH3)2]n (3), [Cr(L)2(Cl)(H2O)]n (4) and [Cd(HL)(O2CCH3)2]n (5). The value of HOMO–LUMO energy gap (ΔE) for forms (A‐C) of monomer (HL) is 2.529, 2.296 and 2.235 eV, respectively. According to ΔE value, compound has minimum ΔE is the more stable, so keto hydrazone form (C) is more stable than the other forms (azo keto form (A), azo enol form (B)). The interaction between HL, polymer complexes of Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) with Calf thymus DNA showed hypochromism effect. The HL and its polymer complexes were tested against some bacterial and fungal species. The results showed that the Cr(III) polymer complex (4) has more antibacterial activity than HL and polymer complexes (1–3 and 5) against Bacillus subtilis, Staphylococcus aureus and Salmonella typhimurium.

Synthesis, spectroscopic, thermal properties, Calf thymus DNA binding and quantum chemical studies of M(II) complexes

Morgan¹,

El‐Sonbati

2018

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A new series of transition metal complexes of Cu(II), Co(II), Ni(II), Mn(II) and Cd(II) were prepared from the ligand of 5-(4-benzenesulfonic acid azo)-2thioxo-4-thiazolidinone (H 2 L). The M(II) complexes were structurally elucidated by elemental analysis, infrared spectra, spectral studies, thermal analysis, magnetic measurements and X-ray diffraction analysis. Elemental analysis and IR result suggested the ligand was bonded to the metal ions in monobasic/neutral bidentate through the nitrogen atom of the hydrazone group and oxygen atom of carbonyl group. The bond length, bond angle, HOMO, LUMO and quantum chemical parameters were calculated to confirm the geometry of the ligand and the M(II) complexes. In vitro antimicrobial behavior of ligand (H 2 L) and its M(II) complexes (1-5) was screened with targeted bacterial and fungal strains. Spectroscopic (UV-vis) technique was employed in order to study the binding mode and binding strength of the ligand (H 2 L) and its M(II) complexes to Calf thymus DNA (CT-DNA). Intercalation is the most possible mode of interaction of the ligand (H 2 L) and its M(II) complexes with CT-DNA and the determined binding constants. Molecular docking was used to predict the binding between the starts (4-aminobenzenesulfonic acid (start 1) and 2-thioxo-4-thiazolidinone (start 2)) and tautomers (A-C) of ligand (H 2 L) with the receptors of prostate cancer mutant (PDB code: 2Q7K) and breast cancer mutant (PDB code: 3HB5).