DFT study on the redox behavior of two dioxovanadium(v) complexes with N2O donor Schiff base ligands and their use in catalytic oxidation of ortho-aminophenol

2019 ◽  
Vol 43 (47) ◽  
pp. 18747-18759 ◽  
Author(s):  
Snehasish Thakur ◽  
Snehasis Banerjee ◽  
Saurabh Das ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Catalytic Oxidation ◽  
Catalytic Efficiency ◽  
Solution Phase ◽  
Schiff Base Complexes ◽  
Dft Study ◽  
Redox Behavior ◽  
Schiff Base Ligands

Solution phase redox behavior of two vanadium(v) Schiff base complexes was checked. The results agree well with DFT calculations. Both complexes exhibited good catalytic efficiency for the conversion of o-aminophenol to 2-aminophenoxazine-3-one.

Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline

CrystEngComm ◽  
2015 ◽  
Vol 17 (30) ◽  
pp. 5664-5671 ◽  
Author(s):  
Prasanta Kumar Bhaumik ◽  
Antonio Bauzá ◽  
Michael G. B. Drew ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Density Functional Theory ◽  
Schiff Base ◽  
Solid State ◽  
Dft Calculations ◽  
Crystal Structures ◽  
Density Functional ◽  
Schiff Base Complexes ◽  
Schiff Base Ligands ◽  
Functional Theory ◽  
Tridentate Schiff Base

Three copper(ii) Schiff base complexes have been synthesized and characterized. Supramolecular assemblies in the solid state are analyzed by DFT calculations.

New Cu(II), Co(II) and Ni(II) azo-Schiff base complexes: Synthesis, characterization, catalytic oxidation of alkenes and DFT study

Polyhedron ◽  
2021 ◽  
Vol 200 ◽  
pp. 115148
Author(s):  
Maryam Lashanizadegan ◽  
Hadiseh Asna Ashari ◽  
Marzieh Sarkheil ◽  
Maryam Anafcheh ◽  
Samira Jahangiry
Keyword(s):  
Schiff Base ◽  
Catalytic Oxidation ◽  
Schiff Base Complexes ◽  
Dft Study

Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study

2015 ◽  
Vol 44 (41) ◽  
pp. 18019-18037 ◽  
Author(s):  
Néstor Novoa ◽  
Thierry Roisnel ◽  
Paul Hamon ◽  
Samia Kahlal ◽  
Carolina Manzur ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Schiff Base Complexes ◽  
Schiff Base Ligands ◽  
Nonlinear Properties ◽  
Unsymmetrical Schiff Base ◽  
Linear And Nonlinear ◽  
Tridentate Schiff Base

The properties of NLO active ternary Ni(ii)- and Cu(ii)-unsymmetrical Schiff base complexes were explored in concert with DFT calculations.

scholarly journals Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions

2019 ◽  
Vol 21 (6) ◽  
pp. 3227-3241 ◽  
Author(s):  
Krishnamoorthy Arumugam ◽  
Neil A. Burton
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Aqueous Solutions ◽  
Density Functional ◽  
Coordination Complexes ◽  
Dft Study ◽  
Redox Behavior ◽  
Functional Theory ◽  
Reduction Potentials ◽  
Uranium Complexes

Of particular interest within the +6 uranium complexes is the linear uranyl(vi) cation and it forms numerous coordination complexes in solution and exhibits incongruent redox behavior depending on coordinating ligands. This DFT study predicts VI/V reduction potentials of a range of uranyl(vi) complexes in non-aqueous solutions within ∼0.10−0.20 eV of experiment.

Series of high spin mononuclear iron(iii) complexes with Schiff base ligands derived from 2-hydroxybenzophenones

2017 ◽  
Vol 41 (13) ◽  
pp. 5904-5915 ◽  
Author(s):  
Lukáš Pogány ◽  
Ján Moncol ◽  
Ján Pavlik ◽  
Ivan Šalitroš
Keyword(s):  
Schiff Base ◽  
High Spin ◽  
Coupled Systems ◽  
Schiff Base Complexes ◽  
Schiff Base Ligands ◽  
Mononuclear Iron ◽  
P Utilization

Utilization of 2-hydroxybenzophenone derivatives for the preparation of iron(iii) Schiff base complexes resulted in a series of high-spin, mostly antiferromagnetically coupled systems.

Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands

2018 ◽  
Vol 42 (20) ◽  
pp. 16571-16582 ◽  
Author(s):  
Saikat Banerjee ◽  
Roumi Patra ◽  
Pravat Ghorai ◽  
Paula Brandão ◽  
Sougata Ghosh Chowdhury ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dna Binding ◽  
Crystal Structures ◽  
Dna Cleavage ◽  
Dft Study ◽  
Schiff Base Ligands

Herein, we have reported three new Co(iii) complexes involving azo-appended Schiff base ligands.

Synthesis and Characterization of Cr (III) Macrocyclic Schiff Base Complexes

2021 ◽  
pp. 269-274
Author(s):  
Dharmendra Kumar Sahu ◽  
Shekhar Srivastava
Keyword(s):  
Schiff Base ◽  
Molar Conductance ◽  
Photoelectron Spectra ◽  
Schiff Base Complexes ◽  
Squaric Acid ◽  
Schiff Base Ligands ◽  
X Ray ◽  
Trimesic Acid ◽  
Macrocyclic Schiff Base

Ninety Cr(III) macrocyclic Schiff base complexes of the type [CrL_n^(1-10) X_2 ]X(Where X = Cl- or NO-3 or CH3COO- and = macrocyclic Schiff base ligands derived from condensation of trimesic acid or p-phthalic acid or squaric acid with different aliphatic diamines) have been synthesised and characterised by elemental analysis; molar conductance; electronic spectra; IR; magnetic moment and XPS i.e. X-ray Photoelectron spectra data. An octahedral geometry was established for them.

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