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.

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.

A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides

RSC Advances ◽  
2014 ◽  
Vol 4 (102) ◽  
pp. 58643-58651 ◽  
Author(s):  
Anik Bhattacharyya ◽  
Prasanta Kumar Bhaumik ◽  
Antonio Bauzá ◽  
Partha Pratim Jana ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Supramolecular Assemblies ◽  
Schiff Base Complexes ◽  
Molecular Networks ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three new copper(ii) Schiff base complexes have been prepared and characterized. DFT calculations were employed to estimate the contribution of different non-covalent interactions in the extended supra-molecular networks.

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.

scholarly journals Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii) Schiff base complexes: a combined experimental and computational study

RSC Advances ◽  
2015 ◽  
Vol 5 (89) ◽  
pp. 73028-73039 ◽  
Author(s):  
Mithun Das ◽  
Biswa Nath Ghosh ◽  
Antonio Bauzá ◽  
Kari Rissanen ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Supramolecular Assembly ◽  
Structural Features ◽  
Schiff Base Complexes ◽  
Oxygen Oxygen ◽  
Mononuclear Cobalt ◽  
Oxygen Interaction

Structural features of two newly synthesized mononuclear cobalt(iii) complexes have been examined by DFT calculations.

Copper(II) complexes with tridentate halogen‐substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving group and ligand flexibility on antiproliferative activities

2021 ◽  
Author(s):  
Nazanin Kordestani ◽  
Hadi Amiri Rudbari ◽  
Alexandra R Fernandes ◽  
Luís R Raposo ◽  
André Luz ◽  
...  
Keyword(s):  
Schiff Base ◽  
Anticancer Activity ◽  
Crystal Structures ◽  
Copper Complexes ◽  
Schiff Base Ligands ◽  
Leaving Group ◽  
Leaving Groups ◽  
Tridentate Schiff Base ◽  
Antiproliferative Activities

To investigate the effect of different halogen substituents, leaving groups and the flexibility of ligand on the anticancer activity of copper complexes, sixteen copper(II) complexes with eight different tridentate Schiff-base...

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