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标题：Tridentate Pyrazole Ligands: Synthesis, Characterization and Corrosion Inhibition properties with Theoretical investigations
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作者：Kaddouri Y. ; Takfaoui A. ; Abrigach F. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2017
卷号：8
期号：3
页码：845-856
出版社：University of Mohammed Premier Oujda
摘要：4-(bis((3,5-dimethyl-1H-pyrazol-1-yl) methyl) amino) benzonitrile (L1) and 4-(bis((1H-pyrazol-1-yl) methyl) amino) benzonitrile (L2) were prepared with goodyields (up to 90 %), they were characterized using different physicochemical methodsas FTIR, 1H NMR, 13C NMR and MS. We have studied their inhibition efficienciesagainst corrosion of mild steel in molar hydrochloric acid solution by weight loss andelectrochemical measurements. The inhibition efficiency using weight lossmeasurement reached 92.4 % for L1and 92.3 % for L2at the highest concentration 10-3.By studying the temperature effect, we conclude that the ligands were adsorbedaccording to Langmuir adsorption isotherm. And from polarization curves that all theligands are mixed type inhibitors. The impedance diagrams in the Nyquist presentationshows that the corrosion is controlled by charge transfer process. We used GAUSSIAN09W program to do theoretical investigations by considering the Density FunctionalTheory (DFT) method to calculate quantum parameters as EHOMO, ELUMO, ∆EHOMOELUMOand μ dipolar moment that allows us to confirm the experimental results.
关键词：Pyrazole; Corrosion; HCl; Mild steel; Weight loss; Adsorption isotherm; GAUSSIAN 09W; EIS; Tafel