Spectroscopy, structure, and electrochemistry of transition metal complexes having [M2N2OS2] coordination sphere

Kulkarni, Naveen V.; Kurdekar, Gurunath S.; Budagumpi, Srinivasa; Revankar, Vidyanand K.

doi:10.1080/00958972.2010.511201

Cited by 12 publications

(9 citation statements)

References 32 publications

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“…The appearance of medium absorptions around (780-870) cm -1 in the IR-spectrum of ω-bromo-3acetylcoumarin confirms the bromination on methyl group of the starting material [16][17][18][19][20]. As well as the strong absorptions in the IR spectrum of L 1 around 2962, 1710, and 1630 cm -1 could be attributed to aliphatic -CH2-, -C=O of pyran ring and -C=C-moiety respectively [12].…”

Section: Ft-ir Spectramentioning

confidence: 70%

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Synthesis, Spectroscopic and Computational Studies of Some Metals Chelates with Chromene-2-one and Pyrazine-Based Ligands

et al. 2019

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The present paper deals with the synthesis of cobalt(II), nickel(II), copper(II) and cadmium(II) complexes with two bidentate ligands, L1 (3-(quinoxaline-2-yl)-coumarin) and L2 (2-methylene-2H-chromene-3-(methyl carbonimidic)thioanhydride). The L1 ligand was prepared by treating w-bromo-3-acetylcoumarin with 1,2-phenylenediamine whereas the ligand L2 was prepared through substitution reaction ofw-bromo-3-acetylcoumarin with potassium thiocyanate in ethanol medium. The confirmation of the structures for L1 and L2 were done by (C.H.N.S.) elemental analysis, FT-IR, NMR and mass spectra. The metal complexes of cobalt(II), nickel(II), copper(II) and cadmium(II), with L1 and L2, were prepared and isolated in the solid state then characterized by (C.H.N.M) elemental analysis, proton and carbon-13 NMR, FT-IR and mass spectra. Furthermore, the thermal analysis (TG-DSC) for some complexes assisted us in the elucidation of the suggested structures of complexes and confirmed their thermal stability. The results obtained from elemental analysis, magnetic susceptibility and thermal analysis confirmed that all metal complexes were formed in 2:1 molar ratio of ligand to metal with octahedral structures except cadmium(II) complexes which were in a tetrahedron geometry with 1:1 mole ratio. The complexes are found to be soluble in DMF and DMSO. The results obtained from TG-DSC analysis revealed that the metal complexes were thermally stable with point decomposition over 350 °C. The DFT/TDDFT calculations were carried out to provide the electronic structures and spectra of the compounds.

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Section: Ft-ir Spectramentioning

confidence: 70%

“…Fig. 4 shows multiple signals at 6.5-7.90 ppm, corresponding to the eight protons aromatic ring protons [18]. The singlet at 4.60 ppm was attributed to the two protons of the -CH2-Br group [10].…”

Section: Nmr Spectramentioning

confidence: 98%

Synthesis, Spectroscopic and Computational Studies of Some Metals Chelates with Chromene-2-one and Pyrazine-Based Ligands

et al. 2019

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“…S1) in CDCl 3 with TMS as internal standard. The singlet observed at 11.8 ppm in the 1 H NMR spectrum of L is assigned to the quinoxaline ring ─NH proton . This peak is slightly shifted (to 11.6 ppm) in the NMR spectrum of the Zn(II) complex.…”

Section: Resultsmentioning

confidence: 95%

Transition metal complexes of a novel quinoxaline‐based tridentate ONO donor ligand: synthesis, spectral characterization, thermal, in vitro pharmacological and molecular modeling studies

Dhanaraj

Johnson

2016

Applied Organom Chemis

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Co(II), Ni(II), Cu(II) and Zn(II) complexes of a novel tridentate heterocyclic ligand, 3‐{[(2‐benzoyl‐4‐chlorophenyl)imino]methyl}quinoxalin‐2(1H)‐one, have been synthesized. The ligand and the metal complexes were characterized using elemental analysis, molar conductance and magnetic susceptibility measurements, and UV–visible, Fourier transform infrared, 1H NMR, 13C NMR, electron spin resonance and DART mass spectral data. The ligand behaves as a tridentate one, coordinating through two oxygen atoms from two keto groups and through the azomethine nitrogen atom. The thermal properties of the newly synthesized compounds were determined using thermogravimetric analysis. The ligand and its metal complexes were subjected to powder X‐ray diffraction analysis by which average crystallite size and unit cell parameters were calculated. The electrochemical behaviour of the compounds was studied using cyclic voltammetry. The ligand and the metal complexes were screened for their in vitro antimicrobial activities against the bacterial strains E. coli, K. pneumoniae, S. pneumoniae and S. aureus and the fungal species A. niger, A. flavus, P. chrysogenum and R. stolonifer. DNA binding, DNA cleavage and antioxidant activities of the compounds were also evaluated. The compounds bind with DNA through groove binding. The Cu(II) and Zn(II) complexes exhibit higher superoxide anion and hydrogen peroxide scavenging activities, respectively. The Cu(II) complex exhibits better anticancer activity against the MCF7 cell line. The compounds were subjected to molecular docking study against B‐DNA dodecamer d(CGCGAATTCGCG)2 and vascular endothelial growth factor receptor kinase to justify the experimental DNA binding and MTT assay. Density functional theory studies were used to optimize the geometry of the compounds and to calculate the nonlinear optical properties. Copyright © 2016 John Wiley & Sons, Ltd.

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“…The complexes showed a shoulder‐like absorption peak at 330–400 nm, which is assigned to the charge‐transfer transition from the filled π orbital of the phenolic oxygen atoms to vacant d orbital of the metal. The shift in the band positions in the free ligand to higher wavelengths in the complexes can be attributed to the bonding of the Schiff base ligand to the metal ions …”

Section: Resultsmentioning

confidence: 99%

Physicochemical characterization of nanobidentate ferrocene‐based Schiff base ligand and its coordination complexes: Antimicrobial, anticancer, density functional theory, and molecular operating environment studies

Mahmoud

2019

J Chinese Chemical Soc

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A novel bidentate Schiff base ligand (HL, Nanobidentate Ferrocene based Schiff base ligand L (has one replaceable proton H)) was prepared via the condensation of 2‐amino phenol with 2‐acetyl ferrocene. The ligand was characterized using elemental analysis, mass spectrometry, infrared (IR) spectroscopy, 1proton nuclear magnetic resonance (H‐NMR) spectroscopy, scanning electron microscopy (SEM), and thermal analysis. The corresponding 1:1 metal complexes with some transition‐metal ions were additionally characterized by their elemental analysis, molar conductance, SEM, and thermogravimetric ana1ysis (TGA). The complexes had the general formula [M(L)(Cl)(H2O)3]xCl·nH2O (M = Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II)), (x = 0 for Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II), x = 1 for Cr(III) and Fe(III)), (n = 1 for Cr(III), n = 3 for Mn(II) and Co(II), n = 4 for Fe(III), Ni(II), Cu(II), Zn(II), and Cd(II)). Density functional theory calculations on the HL ligand were also carried out in order to clarify molecular structures by the B31YP exchange‐correlation function. The results were subjected to molecular orbital diagram, highest occupied mo1ecu1ar orbital–lowest occupied molecular orbital, and molecular electrostatic potential calculations. The parent Schiff base and its eight metal complexes were assayed against four bacterial species (two Gram‐negative and two‐Gram positive) and four different antifungal species. The HL ligand was docked using molecular operating environment 2008 with crystal structures of oxidoreductase (1CX2), protein phosphatase of the fungus Candida albicans (5JPE), Gram(−) bacteria Escherichia coli (3T88), Gram(+) bacteria Staphylococcus aureus (3Q8U), and an androgen‐independent receptor of prostate cancer (1GS4). In order to assess cytotoxic nature of the prepared HL ligand and its complexes, the compounds were screened against the Michigan cancer foundation (MCF)‐7 breast cancer cell line, and the IC50 values of compounds were calculated.

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Spectroscopy, structure, and electrochemistry of transition metal complexes having [M₂N₂OS₂] coordination sphere

Cited by 12 publications

References 32 publications

Synthesis, Spectroscopic and Computational Studies of Some Metals Chelates with Chromene-2-one and Pyrazine-Based Ligands

Synthesis, Spectroscopic and Computational Studies of Some Metals Chelates with Chromene-2-one and Pyrazine-Based Ligands

Transition metal complexes of a novel quinoxaline‐based tridentate ONO donor ligand: synthesis, spectral characterization, thermal, in vitro pharmacological and molecular modeling studies

Physicochemical characterization of nanobidentate ferrocene‐based Schiff base ligand and its coordination complexes: Antimicrobial, anticancer, density functional theory, and molecular operating environment studies

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