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Rahmani, H., Alaoui, K.I., EL Azzouzi, M., Benhiba, F., El Hallaoui, A., Rais, Z., Taleb, M., Saady, A., Labriti, B., Aouniti, A. and Zarrouk, A. (2019) Corrosion Assessment of Mild Steel in Acid Environment Using Novel Triazole Derivative as a Anti-Corrosion Agent: A Combined Experimental and Quantum Chemical Study. Chemical Data Collections, 24, Article ID: 100302.
https://doi.org/10.1016/j.cdc.2019.100302

has been cited by the following article:

• TITLE: Combining Experimental and Quantum Chemical Study of 2-(5-Nitro-1,3-Dihydro Benzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-yl) Propanenitrile as Copper Corrosion Inhibitor in Nitric Acid Solution

  AUTHORS: Mougo André Tigori, Aboudramane Koné, Bamba Souleymane, Doumadé Zon, Drissa Sissouma, Paulin Marius Niamien

  KEYWORDS: 2-Cyanochalcones2-(5-Nitro-1, 3-Dihydrobenzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-Yl) Propanenitrile, Copper, HNO3 Solution, Gravimetric, Density Functional Theory

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.12 No.4, November 29, 2022

  ABSTRACT: Due to acidic solutions aggressiveness, corrosion inhibitors use is considered to be one the most practical methods to delay metals dissolution in the said solutions. In this study benzimidazolyl derivative namely 2-cyanochalcones 2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(2-oxo-2H-chromen-3-yl) propanenitrile which was synthesized was then applied as a corrosion inhibitor for copper in 1 M HNO3 solution. The inhibition action of this molecule was evaluated by gravimetric and density functional theory (DFT) methods. It was found experimentally that this compound has a better inhibition performance and its adsorption on copper surface follows Langmuir adsorption isotherm. This adsorption evolves with temperature and inhibitor concentration, it is endothermic and occurs spontaneously with an increase in disorder. Corrosion kinetic parameters analysis supported by Adejo-Ekwenchi model revealed the existence of both physisorption and chemisorption. DFT calculations related that compound adsorption on copper surface is due to its electron donating and accepting capacity. The reactive regions specifying the electrophilic and nucleophilic attack sites were analyzed using Fukui and dual descriptor functions. Experimental results obtained were compared with the theoretical findings.