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Theoretical spectroscopic study of seven zinc(II) complex with macrocyclic Schiff-base ligand
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)
Seven zinc complexes, which are [ZnL1](2+), [ZnL2](2+), [ZnL3](2+), [ZnL4](2+), [ZnL5](2+), [ZnL6](2+) and [ZnL7](2+), are studied as theoretically. Structural parameters, vibration frequencies, electronic absorption spectra ...
Theoretical study on the antitumor properties of Ru(II) complexes containing 2-pyridyl, 2-pyridine-4-carboxylic acid ligands
(ELSEVIER SCIENCE BV, 2017)
[Ru(bipy)(2)(CppH)](2+) (1), [Ru(bipy)(2)(Cpp-NH-Hex-COOH)](2+) (2), [Ru(dppz)(2)(CppH)](2+) (3) and [Ru(dppz)(2)(Cpp-NH-Hex-COOH)](2+) (4) were calculated by Hartree-Fock (HF), Density Functional Theory (DFT) hybrid B3LYP ...
A Study of New benzo[d]thiazol Derivatives as Corrosion Inhibitors for Steel AISI 1035 in Acidic
(UNIV MOHAMMED PREMIER OUJDA, 2019)
Benzo[d]thiazol-2-ol (BAT), benzo[d]thiazol-2-amine (4-BAT) and benzo[d]thiazol-2-thiol (2-BAT) were prepared and evaluated as corrosion inhibitors for AISI 1035 steel in 1 M HCl. It is found that 4-BAT functions as more ...
Effect of Alkyl Chain Length on Adsorption Behavior and Corrosion Inhibition of Imidazoline Inhibitors
(JIHAD DANESHGAHI, 2018)
Inhibition performances of imidazoline derivatives with different alkyl chain length for carbon steel in H2S acid solutions has been studied by polarization curves, AC impedance measurements, current transient, Atomic Force ...
Investigation of anticancer properties of caffeinated complexes via computational chemistry methods
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)
Computational investigations were performed for 1,3,7-trimethylpurine-2,6-dione, 3,7-dimethylpurine-2,6-dione, their Ru(II) and Os(III) complexes. B3LYP/6-311 ++G(d,p)(LANL2DZ) level was used in numerical calculations. ...
Crystal structure, thermal, luminescent and terahertz time domain spectroscopy of magnesium N-phthaloyl-beta-alaninate: A combined experimental and theoretical study
(ELSEVIER SCIENCE BV, 2018)
A magnesium complex using N-phthaloyl-beta-alanine (NPA) as ligand was synthesized and its crystal structure was characterized by single-crystal X-ray diffraction analysis. The Fourier transformation infrared spectroscopy ...
Investigation of structural and biological properties of N-heterocyclic carbene silver(I) and palladium(II) complexes
(TAYLOR & FRANCIS LTD, 2018)
Computational investigations were done on bis(1-allyl-3-benzyl-2,3-dihydro-1H-benzo[d]imidazol-2-yl)silver(I), bis(1-benzyl-3-butyl-2,3-dihydro-1H-benzo[d]imidazol-2-yl)silver(I), bis(1-allyl-3-benzyl-2,3-dihydro-1H-benz ...
Effect of pyridyl on adsorption behavior and corrosion inhibition of aminotriazole
(ELSEVIER SCIENCE BV, 2016)
2-Amino-1,3,4-triazole (AT), 3-(2-pyridyl)-2-Amino-1,3,4-triazole (2 -AT) and 3-(4-pyridyl)-2-Amino1,3,4-triazole (4 -AT) have been investigated as inhibitors for corrosion of carbon steel in 1 M hydrochloric acid. For ...
Synthesis and characterization of Co(II), Ni(II), Cu(II) and Zn(II) complexes with a new homopiperazine macrocyclic Schiff base ligand
(ELSEVIER SCIENCE SA, 2015)
A new macrocyclic Schiff-base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl) homopiperazine and 1,3-diaminopropane in acetonitrile. The Schiff-base ligand was characterized by using elemental ...
Computational and experimental studies of 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl]phenol and its tautomers
(ELSEVIER SCIENCE BV, 2016)
A new azo-chromophore group containing a hydrazine-Schiff base compound, 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl]phenol, was synthesized and structurally characterized by single crystal X-ray diffraction ...