A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study

Grivani, Gholamhossein; Baghan, Sara Husseinzadeh; Vakili, Mohamad; Khalaji, Aliakbar Dehno; Tahmasebi, Vida; Eigner, Václav; Dušek, Michal

doi:10.1016/j.molstruc.2014.10.058

Cited by 21 publications

(11 citation statements)

References 38 publications

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“…Computational studies: In this study, the 3D structure of the macrocyclic Schiff base ligands and their Co(II)/Cu(II) complexes are optimized using density functional theory (DFT) calculations were carried out by (B3LYP/6-31G/SDD/ LANL2DZ) basis set with Gaussian 09W program (Figs. 9-11) by using a selection of unrestricted modern density functional [27][28][29]. The basis set 6-31G was used for the N, C and H atoms and LANL2DZ was applied for the Co(II)/Cu(II) ion respectively [30].…”

Section: Resultsmentioning

confidence: 99%

Synthesis, Characterization and DFT Studies of Some Co(II) and Cu(II) Complexes of 12-Membered Tetradentate [N4] Macrocyclic Schiff Base Derived from 9,10-Phenanthrenequinone

et al. 2019

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The structures of some coordination compounds of cobalt(II) and copper(II) with macrocyclic Schiff bases obtained by the reaction of 9,10-phenanthrenequinone with diamines synthesized in 1:1 molar ratio(s) have been elucidated by various physico-chemical methods viz. elemental analysis, IR, UV-visible, mass, ESR. The surface morphology was determined by SEM analysis. Infrared spectra suggested that ligand was coordinated to the metal ion in a tetradentate manner through azomethine nitrogen atom by the change in its stretching frequency. ESR spectra of copper(II) complexes indicates the presence of unpaired electron in the dx2–y2 by calculating the g values. The optimized geometries which were calculated using the DFT/B3LYP method were compared with the molecular geometries obtained experimentally.

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Section: Resultsmentioning

confidence: 99%

Synthesis, Characterization and DFT Studies of Some Co(II) and Cu(II) Complexes of 12-Membered Tetradentate [N4] Macrocyclic Schiff Base Derived from 9,10-Phenanthrenequinone

et al. 2019

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“…This finding is due to the formation of Cu1-N1, Cu1-N2, Cu1-O1 and Cu1-S2 bonds which make the C10-N1, C3-N2, C6-O1 and C15-S2 bonds weaker. 52 The high negative atom charge of imine nitrogen atoms (N1, N2), the phenolic oxygen atome (O1) and thio sulfur (S2) is: -0.456,…”

Section: 1 Description Of the Optimized Structuresmentioning

confidence: 99%

Copper(II) Schiff Base Complexes with Catalyst Property: Experimental, Theoretical, Thermodynamic and Biological Studies

Esmaielzadeh

Zarenezhad

2018

ACSi

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Two novel copper(II) Schiff base complexes were synthesized and characterized by various physico-chemical and spectroscopic methods, revealing a distorted square planar geometry around the copper atom. The analytical data confirmed the 1:1 metal to ligand stoichiometry of the complexes. B3LYP/(LANL2DZ/6-311G**) density functional theory (DFT) were used to investigate structural and electronic properties of the synthesized compounds in gas phase. The computational results support the conclusion obtained by the experimental studies. Thermodynamic study of complex formation in solution was carried out spectrophotometrically at 25 °C. These compounds were also subjected to study in vitro antibacterial screening against some bacteria. Also, click reaction was investigated for its catalytic properties. The synthesized Schiff base copper complexes catalyzed 1,3-dipolar Huisgen cycloaddition of different functionalized ?-azido alcohols and alkynes in the presence of ascorbic acid in a solution of THF/H2O (2:1, V/V) at room temperature.

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“…Comparison of the E 0 values showed that the complexes with aromatic diamines were reduced in more negative values. The data were in the common range for previously studied similar complexes [30][31][32].…”

Section: Spectroscopic Characterization Of the Ligands And Complexesmentioning

confidence: 99%

“…This interatomic distance is too long to be considered as a Cu-O bond, but might be responsible for the more flattened geometry of the Schiff base ligand. The average Cu-O (1.918 Å) and Cu-N (1.955 Å) bond distances are in the common range of similar complexes[30,31].…”

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confidence: 92%

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Crystal structures, spectroscopic, electrochemical, and antibacterial properties of a series of new copper(II) Schiff base complexes

Imani

Behzad

Rudbari

et al. 2015

Journal of Coordination Chemistry

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2015): Crystal structures, spectroscopic, electrochemical and antibacterial properties of a series of new copper(II) Schiff base complexes, Journal of Coordination Chemistry, Two new and two previously reported Schiff base ligands as well as four corresponding newCu(II) complexes (CuL 1-4 ) were synthesized and characterized. The Schiff base ligands were synthesized from condensation of 5-bromo-2-hydroxy-3-nitrobenzaldehyde with aliphatic (H 2 L 1-2 ) or aromatic (H 2 L 3-4 ) diamines. Crystal structures of CuL 2 and CuL 3 were determined by X-ray crystallography. Antibacterial properties of these ligands and complexes were studied against four human pathogenic bacteria. The complexes showed moderate antibacterial activities, higher than those of the ligands.

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A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study

Cited by 21 publications

References 38 publications

Synthesis, Characterization and DFT Studies of Some Co(II) and Cu(II) Complexes of 12-Membered Tetradentate [N4] Macrocyclic Schiff Base Derived from 9,10-Phenanthrenequinone

Synthesis, Characterization and DFT Studies of Some Co(II) and Cu(II) Complexes of 12-Membered Tetradentate [N4] Macrocyclic Schiff Base Derived from 9,10-Phenanthrenequinone

Copper(II) Schiff Base Complexes with Catalyst Property: Experimental, Theoretical, Thermodynamic and Biological Studies

Crystal structures, spectroscopic, electrochemical, and antibacterial properties of a series of new copper(II) Schiff base complexes

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