Synthesis and structural characterization of new oxovanadium(IV) complexes derived from azo-5-pyrazolone with prospective medical importance

Bağdatlı, Emine; Altuntas, E.; Sayin, Ulku

doi:10.1016/j.molstruc.2016.08.026

Cited by 29 publications

(15 citation statements)

References 54 publications

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“…All Hamiltonian parameters as, molecular orbital, isotropic and anisotropic for VO (II) complexes were calculated and displayed (Table ). d xy is the ground orbital recorded with three VO (II) complexes according to the following Hamiltonian order, g // ˂ g ⊥ ˂ g e. Isotropic and anisotropic parameters were estimated from the following expressions; A o = (A // +2A ⊥ ) /3 and g o = (g // + 2 g ⊥ ) /3 . Such parameters (A o and g o ) are highly deviated from that of free electron (g e = 2.0023), which advocate distorted tetragonal geometry.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, analytical and spectral characterization for new VO (II)‐triazole complexes; conformational study beside MOE docking simulation features

El‐Metwaly

Farghaly

Elghalban

2020

Applied Organom Chemis

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New triazole‐derivatives were synthesized and characterized (spectral, analytical and conformational). After that, the new derivatives were coordinated with VO (II) atom to prepare new series of complexes. Distorted octahedral and square‐pyramidal geometries, were the geometries suggested based on UV‐ Vis and ESR spectra. A neutral poly‐dentate mode of bonding was proposed by 1:1 (M:L), for all complexes. TGA study supports the molecular formula of VO (II) complexes as well as, mass spectral‐analysis that executed for examples. The isotropic, anisotropic, molecular orbital and Hamiltonian parameters were estimated upon ESR spectra, for selected complexes. XRD patterns were executed for three complexes, two among appeared with particulate‐sizes in nanometer‐range. Conformational study was executed for all synthesizes applying RTD‐B3LYP‐FC method. Essential physical parameters were estimated and discussed. MOE‐docking that considered a bright part, was performed over all compounds towards 3s7s and 5jm5, as functional tumor proteins. The docking interaction parameters, introduced strongly some synthesizes to be anti‐tumor agents.

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Section: Resultsmentioning

confidence: 99%

Synthesis, analytical and spectral characterization for new VO (II)‐triazole complexes; conformational study beside MOE docking simulation features

El‐Metwaly

Farghaly

Elghalban

2020

Applied Organom Chemis

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“…The IR spectrum of the Schiff base showed a broad absorption band spreading over the region 3546-3059 cm -1 , centered at 3360 cm -1 , which can be attributed to the stretching vibration of intramolecular hydrogen bonded OH group 16,17 .This band disappeared on complexation indicating the coordination of metal through OH group after deprotonation (Fig.1&2). Consequently the phenolic ν(C-O) observed at 1238 cm -1 in the ligand has increased by ~35 cm -1 on complexation 18 .…”

Section: Infrared Spectramentioning

confidence: 91%

“…A characteristic intense peak at 1657 cm -1 ascribed to ν(C=O) stretching frequency of the cyclic keto group of the pyrazolone ring 19 . On complexation, this peak has been shifted to lower frequency by 3 0 cm -1 in all the complexes, indicating coordination of pyrazolone carbonyl oxygen with the metal ion 17 . The medium intense band at 1600 cm -1 present in the IR spectrum of the free ligand may be assigned to the ν(C=N) stretching frequency of the azomethine moiety 7,17 .…”

Section: Infrared Spectramentioning

confidence: 92%

“…On complexation, this peak has been shifted to lower frequency by 3 0 cm -1 in all the complexes, indicating coordination of pyrazolone carbonyl oxygen with the metal ion 17 . The medium intense band at 1600 cm -1 present in the IR spectrum of the free ligand may be assigned to the ν(C=N) stretching frequency of the azomethine moiety 7,17 . On chelation this value was shifted to lower frequency by ~ 20 cm 7,18 .…”

Section: Infrared Spectramentioning

confidence: 92%

“…The Schiff base ligand exhibited two absorption bands at 313 nm and 356 nm due to π→π* and n→π * transitions respectively of the azomethine group 7,17 . These bands are shifted to lower energy region on complexation, indicating the coordination of azomethine nitrogen to the central metal ion 17 . Electronic spectral data and magnetic susceptibility measurements have been used to establish the geometry of the metal complexes 20 .…”

Section: Electronic Spectramentioning

confidence: 99%

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Synthesis and Spectroscopic Characterization of Some Transition Metal Complexes of Schiff Base 3-(2-hydroxyphenylimino) methyl-4,5,-dimethyl-1-phenylpyrazol-3-in-2-one

Thomas¹,

Philip²,

Mohanan³

2017

Orient. J. Chem

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A novel potentially tridentate Schiff base has been prepared by condensing antipyrine-4-carboxaldehyde with 2-aminophenol. This ligand formed a series of complexes with cobalt(II), nickel(II), copper(II) and zinc(II) ions. The ligand and the metal complexes were characterized through various physicochemical and spectral studies. These studies include elemental analysis, molar conductance, magnetic susceptibility, UV-Vis, IR, 1 H NMR, mass and ESR spectral studies. The ESR spectral data revealed that the metal-ligand bonds have considerable covalent characters. The XRD profile of the ligand and the cobalt(II) complex indicated a hexagonal crystal structure. The fluorescence spectra of the ligand and its metal complexes in DMSO were also recorded. The copper(II) metal complex was subjected to thermal decomposition study.

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Synthesis and structural characterization of oxovanadium(IV) complexes of dimedone derivatives

Al‐Hazmi

Abou‐Melha

Althagafi

et al. 2020

Applied Organom Chemis

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We have successfully synthesized new oxovanadium (IV) complexes with dimedone derivatives and their structure were confirmed by elemental analyses, spectroscopic techniques (FT-IR, UV-visible, EPR) and thermal analysis. The reaction of [VO (acac) 2 ] with the azo dimedone ligands (HL n) produced mononuclear oxovanadium (IV) complexes with formula [VO (L n) 2 ] H 2 O. Results of the molar conductance proved that VO 2+ complexes are nonelectrolytes and fall in the range 14-16 Ω-1 cm 2 mol −1. The coordination geometry of VO (IV) complexes is square-pyramidal, where vanadium (IV) ion is coordinated by oxygen atom of the carbonyl (C=O) group, and nitrogen atom of the deprotonating hydrazone moiety (-NH-), while the fifth position is occupied by an oxo group. Moreover, the optimized structure, bond angles, bond lengths, as well as the calculated quantum chemical parameters of the complexes have been estimated. DNA binding activities of the complexes were investigated using electronic absorption titration and viscosity measurements. The obtained results showed groove binding of the complexes to CT-DNA accompanied with a partial insertion of the ligand between the base stacks of the DNA with a binding constant of 2.07-5.51 x 10 5 M −1 range. Evaluation results of the synthesized complexes against the human cancer cell lines HepG-2 and MCF-7, as compared to the positive controls in the viability assay of vinblastine and colchicine have been reported. The in vitro anti-oxidant activity of all the complexes is determined by DPPH free radical-scavenging assay. Finally, the anti-microbial activities of the complexes have been investigated against fungal (Candida albicans), gram negative bacteria (Escherichia coli), and gram positive bacteria (Staphylococcus aureus) using the discdiffusion method.

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Synthesis and structural characterization of new oxovanadium(IV) complexes derived from azo-5-pyrazolone with prospective medical importance

Cited by 29 publications

References 54 publications

Synthesis, analytical and spectral characterization for new VO (II)‐triazole complexes; conformational study beside MOE docking simulation features

Synthesis, analytical and spectral characterization for new VO (II)‐triazole complexes; conformational study beside MOE docking simulation features

Synthesis and Spectroscopic Characterization of Some Transition Metal Complexes of Schiff Base 3-(2-hydroxyphenylimino) methyl-4,5,-dimethyl-1-phenylpyrazol-3-in-2-one

Synthesis and structural characterization of oxovanadium(IV) complexes of dimedone derivatives

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