Aqua­bis­[2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole-κ2 N 2,N 3](trifluoro­methane­sulfonato-κO)copper(II) trifluoro­methane­sulfonate

2,5-Bis(pyridin-2-yl)-1,3,4-thia­diazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF3O3S)(C12H8N4S)2(H2O)](CF3O3S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thia­diazole ligands, one water mol­ecule and one trifluoro­methane­sulfonate anion. The second trifluoro­methane­sulfonate anion does not coordinate the copper(II) cation. Each thia­diazole ligand uses one pyridyl and one thia­diazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thia­diazole ring as the S atom. The trifluoro­methane­sulfonate ions are involved in a three-dimensional network of O—H⋯O hydrogen bonds. C—H⋯N inter­actions also occur

Corrosion protection mechanisms of carbon steel by an epoxy resin containing indole-3 butyric acid modified clay

This work is an extension of studies into the mechanisms of corrosion protection of mild steel by an epoxy resin containing organically modified clay (Hang et al. [1]; Truc et al. [2]). In a previous study (Truc et al. [2]), it was shown that indole-3 butyric acid (IBA)-modified clay improved the corrosion performance of epoxy. In the present study, it was shown that the IBA is an anodic inhibitor and its efficiency was about 93%. Exfoliation and dispersion of the IBA-modified clay in the epoxy coating were checked by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The improvement of the corrosion performance of the epoxy coating containing IBA-modified clay by comparison with pure epoxy coating was confirmed for a low film thickness (10 μm). Local electrochemical impedance measurements performed on scratched samples revealed the inhibitive action of IBA at the carbon steel/coating interface. It was shown that the inhibitor release from the IBA-modified clay was favoured for high pH values. Thus, in neutral media, the corrosion process which induces a local increase of pH will increase the self-healing performance

Inhibitive effect of sodium (E)-4-(4-nitrobenzylidenamino) benzoate on the corrosion of some metals in sodium chloride solution

The inhibition performance of a novel anionic carboxylic Schiff base, sodium (E)-4-(4-nitrobenzylideneamino)benzoate (SNBB), was investigated for various metals, namely low carbon steel F111, pure iron and copper, in neutral 10 mM NaCl solution. Potentiodynamic polarization, scanning vibrating electrode technique (SVET), quantum chemical (QC) calculation, and molecular dynamics (MD) simulation were employed. The potentiodynamic polarization data showed that SNBB acts as an effective corrosion inhibitor for both iron and F111 steel, but it is not effective for the copper. In situ spatially-resolved SVET maps evidenced a major change in surface reactivity for Fe and F111 steel immersed in 10 mM aqueous solution in the absence and in the presence of SNBB. Featureless ionic current density distributions were recorded in the presence of SNBB at both their spontaneous open circuit potential (OCP) and under mild anodic polarization conditions, while major ionic flows were monitored above the metals in the absence of SNBB. On the basis of computer simulations, it is proposed that SNBB produces a stable chelate film on iron and steel surfaces that accounts for the good corrosion inhibition efficiency observed. The different inhibition efficiencies of SNBB molecules on the iron and copper was attributed to the special chemical structure of SNBB molecule and its different chelation ability with the released metal ions on the metal surface. The QC calculations also confirmed the high corrosion inhibition efficiency of SNBB. The MD simulation indicated higher binding energy of SNBB on iron surface compared to that of copper surface. The interaction mode of SNBB on iron and F111 steel surfaces corresponds to a mixed chemical and physical adsorption, and it obeys the Langmuir isother

Synthesis and survey of the complexing properties and inhibitory of corrosion of the oxadiazoles and pyrazoles substituted by groupings potentially chelatants

L'objectif de ce travail est la synthèse de nouvelles familles de molécules inhibitrices de corrosion des métaux, et en particulier de l'acier, et l'évaluation de leur pouvoir inhibiteur. Certaines de ces molécules étant potentiellement chélatantes, la synthèse et l'étude structurale de nouveaux complexes de coordination ont été réalisées. L'originalité du travail réside dans la préoccupation de synthétiser des produits dénués de toxicité par des méthodes de synthèse originales faisant notamment appel aux techniques d'irradiation par micro-ondes. Les molécules organiques utilisées sont des hétérocycles pentaatomiques substitués par des groupements aromatiques riches en électrons ou par des groupements carbonylés aisément transformable en fonctions chélatantes (oximes, imines ... ) et pouvant conduire à des macrocycles. Des procédures de synthèse simples, permettant l'obtention de ces produits avec d'excellents rendements ont été mises au point. Les mesures d'efficacité de ces molécules en tant qu'inhibiteurs de corrosion sont effectuées par Spectroscopie d'Impédance Electrochimique. Dans chaque cas, l'influence du substituant est étudiée, par exemple, pour le groupement pyridyle, la position de l'atome d'azote est discutée. Outre les propriétés inhibitrices de corrosion, Certains dérivés de ces molécules azotés à cinq chaînons tels que les oxadiazoles et pyrazoles présentent l'avantage d'être des ligands potentiellement chélatants et permettent d'obtenir des complexes mono, bi et polymétalliques. Des interactions entre métaux porteurs de spin peuvent s'effectuer par l'intermédiaire de ces ligands assembleurs.The aim of this work is the synthesis of new families of inhibitory of corrosion molecules of metals, in particular of steel, and the assessment of their inhibitory power. Some of these molecules being potentially chelatants, the synthesis and the structural survey of new complexes of coordination have been achieved. The originality of work resides in the preoccupation to synthesize products deprived of toxicity by original methods of synthesis making notably calI to the techniques of irradiation by microwave. The used organic molecules are heterocyclic compounds substituted by aromatic groupings rich in electrons or by groupings carbonyls comfortably transformable in chelatants functions (oximes, imines ... ) and capable to drive to macrocycles. The simple procedures of synthesis, permit to obtain these products with excellent outputs has been finalized. The measures of efficiency of these molecules as inhibitors of corrosion are done by Electrochemical impedance Spectroscopy. ln every case, the influence of substituting was studied, for example, for the grouping pyridyl, the position of the nitrogen atom is discussed. Besides the inhibitory properties of corrosion, Sorne derivatives of these nitrogenous molecules to five linkages as the oxadiazoles and pyrazoles present the advantage to be potentially ligands chelatants and permit to get the complex mono, bi and polymétallic. Interactions between metals carriers of spin can take lace through the intermediary of these Iigands collector

Synthèse et étude des propriétés complexantes et inhibitrices de corrosion des oxadiazoles et des pyrazoles substitués par des groupements potentiellement chélatants

L'objectif de ce travail est la synthèse de nouvelles familles de molécules inhibitrices de corrosion des métaux, et en particulier de l'acier, et l'évaluation de leur pouvoir inhibiteur. Certaines de ces molécules étant potentiellement chélatantes, la synthèse et l'étude structurale de nouveaux complexes de coordination ont été réalisées. L'originalité du travail réside dans la préoccupation de synthétiser des produits dénués de toxicité par des méthodes de synthèse originales faisant notamment appel aux techniques d'irradiation par micro-ondes. Les molécules organiques utilisées sont des hétérocycles pentaatomiques substitués par des groupements aromatiques riches en électrons ou par des groupements carbonylés aisément transformable en fonctions chélatantes (oximes, imines ... ) et pouvant conduire à des macrocycles. Des procédures de synthèse simples, permettant l'obtention de ces produits avec d'excellents rendements ont été mises au point. Les mesures d'efficacité de ces molécules en tant qu'inhibiteurs de corrosion sont effectuées par Spectroscopie d'Impédance Electrochimique. Dans chaque cas, l'influence du substituant est étudiée, par exemple, pour le groupement pyridyle, la position de l'atome d'azote est discutée. Outre les propriétés inhibitrices de corrosion, Certains dérivés de ces molécules azotés à cinq chaînons tels que les oxadiazoles et pyrazoles présentent l'avantage d'être des ligands potentiellement chélatants et permettent d'obtenir des complexes mono, bi et polymétalliques. Des interactions entre métaux porteurs de spin peuvent s'effectuer par l'intermédiaire de ces ligands assembleurs.The aim of this work is the synthesis of new families of inhibitory of corrosion molecules of metals, in particular of steel, and the assessment of their inhibitory power. Some of these molecules being potentially chelatants, the synthesis and the structural survey of new complexes of coordination have been achieved. The originality of work resides in the preoccupation to synthesize products deprived of toxicity by original methods of synthesis making notably calI to the techniques of irradiation by microwave. The used organic molecules are heterocyclic compounds substituted by aromatic groupings rich in electrons or by groupings carbonyls comfortably transformable in chelatants functions (oximes, imines ... ) and capable to drive to macrocycles. The simple procedures of synthesis, permit to obtain these products with excellent outputs has been finalized. The measures of efficiency of these molecules as inhibitors of corrosion are done by Electrochemical impedance Spectroscopy. ln every case, the influence of substituting was studied, for example, for the grouping pyridyl, the position of the nitrogen atom is discussed. Besides the inhibitory properties of corrosion, Sorne derivatives of these nitrogenous molecules to five linkages as the oxadiazoles and pyrazoles present the advantage to be potentially ligands chelatants and permit to get the complex mono, bi and polymétallic. Interactions between metals carriers of spin can take lace through the intermediary of these Iigands collectorsLILLE1-Bib. Electronique (590099901) / SudocSudocFranceF

ac impedance, X-ray photoelectron spectroscopy and density functional theory studies of 3,5-bis(<i>n</i>-pyridyl)-1,2,4-oxadiazoles as efficient corrosion inhibitors for carbon steel surface in hydrochloric acid solution

The corrosion inhibition properties of a new class of oxadiazole derivatives, namely 3,5-bis(n-pyridyl)-1,2,4-oxadiazoles (n-DPOX) for C38 carbon steel corrosion in 1 M HCl medium were analysed by electrochemical impedance spectroscopy (EIS). An adequate structural model of the interface was used and the values of the corresponding parameters were calculated and discussed. The experimental results showed that these compounds are excellent inhibitors for the C38 steel corrosion in acid solution and that the protection efficiency increased with increasing the inhibitors concentration. Electrochemical impedance data demonstrate that the addition of the n-DPOX derivatives in the corrosive solution decreases the charge capacitance and simultaneously increases the function of the charge/discharge of the interface, facilitating the formation of an adsorbed layer over the steel surface. Adsorption of these inhibitors on the steel surface obeys to the Langmuir adsorption isotherm. X-ray photoelectron spectroscopy (XPS) and the thermodynamic data of adsorption showed that inhibition of steel corrosion in normal hydrochloric solution by n-DPOX is due to the formation of a chemisorbed film on the steel surface. Quantum chemical calculations using the Density Functional Theory (DFT) and the Quantitative Structure Activity Relationship (QSAR) approach were performed on n-DPOX derivatives to determine the relationship between molecular structure and their inhibition efficiencies. The results of the quantum chemical calculations and experimental inhibition efficiency were subjected to correlation analysis and indicate that their inhibition effect is closely related to EHOMO, ELUMO, and dipole moment (μ)

Improvement of corrosion resistance of carbon steel in hydrochloric acid medium by 3,6-bis(3-pyridyl)pyridazine

Corrosion inhibition of carbon steel in normal hydrochloric acid solution at 30°C by new pirydazine derivative, namely 3,6-bis(3-pyridyl) pyridazine (3-PYP) has been studied by a series of known techniques such as weight loss, polarisation and electrochemical impedance spectroscopy (EIS). The experimental results have showed that this organic compound revealed a good corrosion inhibition and that the inhibition efficiency is increased with the inhibitor concentration. Potentiodynamic polarisation suggested that it is a mixed type of inhibitor. Two time constants determined by the charge-transfer and the adsorption of the inhibitor, respectively, can be readily outlined. The adsorption of 3-PYP on the carbon steel surface, in 1 M HCl solution, obeyed to the Temkin's isotherm with a very high negative value of the standard Gibbs free energy of adsorption δG°ads (chemisorption). Quantum chemical calculations and X-ray photoelectron spectroscopy (XPS) analysis were carried out to establish the mechanism of corrosion inhibition of carbon steel in 1 M HCl medium in the presence of 3,6-bis(3-pyridyl)pyridazine (3-PYP)