Electrochemistry: Applications in Inorganic ChemistryBased in part on the article Electrochemistry: Applications in Inorganic Chemistry by Robert H. Crabtree which appeared in the<i>Encyclopedia of Inorganic Chemistry, First Edition</i>.

Thorp, H. Holden

doi:10.1002/0470862106.ia067

Cited by 3 publications

(2 citation statements)

References 29 publications

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“…The bands that appeared in the around 403 and 418 nm (1, 2) , 396 and 429 nm (3) , and 438 nm (4) are associated with the CT (charge transfer). For complexes (3, 4) in the 484 and 675 nm districts, d → d transfers were observed, respectively 18,39,40,68–70 …”

Section: Resultsmentioning

confidence: 99%

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Parvarinezhad,

Ramezanipoor,

Kubicki

et al. 2024

Applied Organom Chemis

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A new series of transition metal complexes of bidentate Schiff base compound derived from 2‐hydroxy‐1‐(2‐methoxyethylimino)‐naphthalene (HL) were synthesized and characterized using elemental analysis, Fourier transform infrared spectroscopy (FT‐IR), and UV–vis spectroscopies. X‐ray single crystal structures of Zn(II), Mn(III), and Co(III) complexes (1–4) have also been determined, and it was indicated that these Zn(II) and Co(III) complexes (1, 4) are in an octahedral geometry. Whereas, it was found that the Zn complex (2) is in quite a regular tetrahedral environment. Also, the Mn center in complex (3) is ligated by two azomethine nitrogen atoms, two ligand oxygen atoms, and one Cl atom of metal salt forming five coordinated tetragonal pyramid geometry around the Mn atoms. The cyclic voltammetry of the complexes specifies an irreversible redox behavior for all complexes (1–4). Next, DFT/B3LYP theoretical method was used to determine the optimal geometrical configurations and comparison between experimental and theoretical data, as well as for calculations of molecular electrostatic potential, highest‐occupied molecular orbital (HOMO)‐lowest‐unoccupied molecular orbital (LUMO) energy values of selected compounds. The study of non‐covalent interactions was done by Hirshfeld surface analysis using CrystalExplorer program. Furthermore, molecular docking inspection was carried out to study the binding affinity of the tested complexes towards protein B‐cell lymphorna (PDB ID: 4LXD). Using the results obtained from the molecular docking and the summarized interaction of the binding processes, these structures show the validity of effective inhibition against liver cancer.

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Section: Resultsmentioning

confidence: 99%

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Parvarinezhad,

Ramezanipoor,

Kubicki

et al. 2024

Applied Organom Chemis

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“…(3), 438 nm (4) are related to the charge transfer. For complexes (3,4) in the 484 and 675 nm districts, d → d transfers was observed, respectively [13][14][15][34][35][36].…”

Section: Uv-vis Spectramentioning

confidence: 99%

Synthesis, spectra, crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking evaluation on novel mononuclearZn(II), Mn(III) and Co(III) Schiff base complexes derived from 2- hydroxy-1-naphthaldehyde

Parvarinezhad

Ramezanipoor

Kubicki

et al. 2023

Preprint

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four novel complexes of bidentate Schiff base ligand derived from 2-hydroxy-1-(2-methoxyethylimino)-naphthalen (HL) were synthesized and characterized using elemental analysis, FTIR, and UV–Vis spectroscopies. X-ray single crystal structures of Zn(II), Mn(III) and Co(III) complexes (1–4) have also been determined, and it was indicated that these Zn(II) and Co(III) complexes (1, 4) are in an octahedral geometry. Whereas, it was found that the Zn complex (2) in quite a regular tetrahedral environment. Also, Mn center in complex (3), is ligated by two azomethine nitrogen atom, two ligand oxygen atoms and one Cl atom of metal salt forming five coordinated tetragonal pyramid geometry around of the Mn atoms. The cyclic voltammetry (CV) of the complexes specifies an irreversible redox behavior for all complexes (1–4). Next, the molecular electrostatic potential (MEP) was studied for all complexes to better understand and predict the reaction sites of electrophilic and nucleophilic attacks. Also, density functional theory (DFT) calculations were performed to determine the optimal geometrical configurations, and comparison between experimental and theoretical data, and non-covalent interactions were determined by Hirshfeld surface analysis (HSA) using CrystalExplorer program. Also, finding binding affinity of complexes with protein (PDB ID: 4LXD) was also done using molecular docking.

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Crystal structures, electrochemical properties and theoretical studies of three New Zn(II), Mn(III) and Co(III) Schiff base complexes derived from 2-hydroxy-1-allyliminomethyl-naphthalen

Ramezanipoor

Parvarinezhad

Salehi

et al. 2022

Journal of Molecular Structure

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Electrochemistry: Applications in Inorganic ChemistryBased in part on the article Electrochemistry: Applications in Inorganic Chemistry by Robert H. Crabtree which appeared in theEncyclopedia of Inorganic Chemistry, First Edition.

Cited by 3 publications

References 29 publications

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Synthesis, spectra, crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking evaluation on novel mononuclearZn(II), Mn(III) and Co(III) Schiff base complexes derived from 2- hydroxy-1-naphthaldehyde

Crystal structures, electrochemical properties and theoretical studies of three New Zn(II), Mn(III) and Co(III) Schiff base complexes derived from 2-hydroxy-1-allyliminomethyl-naphthalen

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