Pd(II) and Ni(II) complexes containing an asymmetric Schiff base ligand: Synthesis, x-ray crystal structure, spectroscopic investigations and computational studies

Kargar, Hadi; Torabi, Vajiheh; Akbari, Alireza; Behjatmanesh–Ardakani, Reza; Sahraei, Atefeh; Tahir, Muhammad Nawaz

doi:10.1016/j.molstruc.2019.127642

Cited by 44 publications

(10 citation statements)

References 34 publications

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“…Thus from the data above and those obtained from FT-IR spectra and flame atomic absorption, an octahedral geometry around Ni(II) ion can be suggested as given in Fig. 4(a) [25][26].…”

Section: Electronic Spectra and Magnetic Propertiesmentioning

confidence: 84%

Synthesis, Characterization and Antibacterial Activity Study of Cobalt(II), Nickel(II), Copper(II), Palladium(II), Cadmium(II) and Platinum(IV) Complexes with 4-Amino-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole-3-thione

2021

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New transition metal complexes of cobalt(II), nickel(II), copper(II), palladium(II), cadmium(II), and platinum(IV) with bidentate ligand 4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol were synthesized and characterized by microelemental analyses (CHNS), Fourier-transform infrared (FT-IR), UV-Visible spectra, molar conductance, magnetic susceptibility and thermal analyses (TG-DSC). The ligand was synthesized by ring closure of potassium-2-(3,4,5-trimethoxybenzoyl) hydrazine carbodithioate with an excess amount of hydrazine, and then was acidified using hydrochloric acid. The ligand was used as Lewis bases to prepare metal complexes through the reaction of ratio (1:2) metal:ligand. The ligand was characterized by 1H-NMR and 13C-NMR and the previously described methods to identify the complexes. The results obtained from spectra and elemental analyses indicated the tetrahedral geometry around Cd(II) ion, square-planar for Cu(II) and Pd(II), and octahedral geometry around Co(II), Ni(II), and Pt(IV). All the metal complexes showed significant antibacterial activity in comparison with the free ligand. The antibacterial test of the platinum(IV) complex showed higher activity than other metal complexes against bacteria Staphylococcus aureus (G-positive) and Escherichia coli (G-negative).

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“…Thus from the data above and those obtained from FT-IR spectra and flame atomic absorption, an octahedral geometry around Ni(II) ion can be suggested as given in Fig. 4(a) [25][26].…”

Section: Electronic Spectra and Magnetic Propertiesmentioning

confidence: 84%

Synthesis, Characterization and Antibacterial Activity Study of Cobalt(II), Nickel(II), Copper(II), Palladium(II), Cadmium(II) and Platinum(IV) Complexes with 4-Amino-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole-3-thione

2021

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“…Optimization without any geometrical restraints produced the most stable structures of the examined compounds, and no imaginary frequencies were obtained, confirming that given conformations are found on the energy minima of the potential energy surface. The Gauge Independent Atomic Orbital (GIAO) method was utilized in order to simulate the 1 H and 13 CNMR spectra of the examined complexes [ 56 , 57 ]. The CPCM solvation model was used to investigate the probable solvent effects of DMSO [ 58 ].…”

Section: Methodsmentioning

confidence: 99%

Synthesis and Cytotoxicity Evaluation of Novel Coumarin–Palladium(II) Complexes against Human Cancer Cell Lines

et al. 2022

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Two newly synthesized coumarin–palladium(II) complexes (C1 and C2) were characterized using elemental analysis, spectroscopy (IR and 1H-13C NMR), and DFT methods at the B3LYP-D3BJ/6-311+G(d,p) level of theory. The in vitro and in silico cytotoxicity of coumarin ligands and their corresponding Pd(II) complexes was examined. For in vitro testing, five cell lines were selected, namely human cervical adenocarcinoma (HeLa), the melanoma cell line (FemX), epithelial lung carcinoma (A549), the somatic umbilical vein endothelial cell line (EA.hi926), and pancreatic ductal adenocarcinoma (Panc-1). In order to examine the in silico inhibitory potential and estimate inhibitory constants and binding energies, molecular docking studies were performed. The inhibitory activity of C1 and C2 was investigated towards epidermal growth factor receptor (EGFR), receptor tyrosine kinase (RTK), and B-cell lymphoma 2 (BCL-2). According to the results obtained from the molecular docking simulations, the inhibitory activity of the investigated complexes towards all the investigated proteins is equivalent or superior in comparison with current therapeutical options. Moreover, because of the low binding energies and the high correlation rate with experimentally obtained results, it was shown that, out of the three, the inhibition of RTK is the most probable mechanism of the cytotoxic activity of the investigated compounds.

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“…3 [13][14]. The d 9 ion was characterized by a large distortion from the octahedral symmetry, and the band was asymmetrical.…”

Section: Electronic Spectra Magnetic Susceptibility and Molar Conduct...mentioning

confidence: 99%

Synthesis, Structural Analysis and Thermal Behavior of New 1,2,4-Triazole Derivative and Its Transition Metal Complexes

et al. 2021

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Cobalt(II), nickel(II), and copper(II) complexes containing bidentate ligands )5-(4-nitrophenyl)-4-((4-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol) could be synthesized by the condensation reaction between 1,2,4-triazole derivative and p-phenoxy benzaldehyde. The ligand and its complexes were characterized by various spectroscopic techniques such as FTIR, UV-visible, 1H and 13C-NMR, element analysis, molar conductance, and magnetic susceptibility test. The new ligand was exploited as a ligand to coordinate with Co(II), Ni(II), and Cu(II) by a molar ratio of 1:2 (metal:ligand). The prepared complexes (C1, C2, and C3) were exposed to thermo-gravimetric analysis (TGA/DTG) under an inert atmosphere to investigate their thermal stability. The ligand (L) degradation was also investigated as a reference. The results indicated that the complexes proposed structures had an octahedral geometry.

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Pd(II) and Ni(II) complexes containing an asymmetric Schiff base ligand: Synthesis, x-ray crystal structure, spectroscopic investigations and computational studies

Cited by 44 publications

References 34 publications

Synthesis, Characterization and Antibacterial Activity Study of Cobalt(II), Nickel(II), Copper(II), Palladium(II), Cadmium(II) and Platinum(IV) Complexes with 4-Amino-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole-3-thione

Synthesis, Characterization and Antibacterial Activity Study of Cobalt(II), Nickel(II), Copper(II), Palladium(II), Cadmium(II) and Platinum(IV) Complexes with 4-Amino-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole-3-thione

Synthesis and Cytotoxicity Evaluation of Novel Coumarin–Palladium(II) Complexes against Human Cancer Cell Lines

Synthesis, Structural Analysis and Thermal Behavior of New 1,2,4-Triazole Derivative and Its Transition Metal Complexes

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