Electrochemical and Computational Studies of Some Triazepine Carboxylate Compounds as Acid Corrosion Inhibitors for Mild Steel

Alaoui, K.; Touir, R.; Galai, M.; Serrar, H.; Ouakki, M.; Kaya, Savaş; Tüzün, Burak; Boukhris, Saı̈d; Touhami, M. Ebn; Kacimi, Y. El

doi:10.1007/s40735-018-0154-z

Cited by 48 publications

(5 citation statements)

References 51 publications

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“…When two of these featuresare combined, increased inhibition can be observed [Moradi and Attar, 2014; Shivakumar and Mohana, 2012; Galai et al., 2017]. Recently many researchers have reoriented their attention to the useof new organic compounds as corrosion inhibitors such aspyrazole [Hammouti et al., 1995; Aouniti et al., 1998; El-Ouafi et al., 2002], triazole [Salghi et al., 2000; Bentiss et al., 1999], Triazepine Carboxylate [Alaoui et al., 2018], tetrazole [Kertit and Hammouti, 1996; Kertit et al., 1998], imidazopyridine [Ech-chihbi et al., 2016; Ech-chihbi et al., 2017] and imidazole [Galai et al., 2016; Rbaa et al., 2017a, Rbaa et al., 2017b]. Recently, imidazole has attracted a lot of attention in the field of metallic corrosion inhibition due to their interesting properties, low cost and their ease of synthesis [Verma et al., 2018].…”

Section: Introductionmentioning

confidence: 99%

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Ouakki

Galai

Rbaa

et al. 2019

Heliyon

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106

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The adsorption and corrosion inhibition properties of two imidazole derivatives namely, 2-(4-chlorophenyl)-1,4,5-triphenyl-1H-imidazole (IM-Cl) and 1,4,5-triphenyl-2-(p-tolyl)-1H-imidazole (IM-CH3) for mild steel in 0.5 M H2SO4 solution are studiedby electrochemical and computational calculations. The results obtained from the electrochemical methods show that IM-Cl and IM-CH3imparted high resistance and behave as mixed type inhibitors. Inhibition efficiency (IE %) increases with the increase of inhibitors concentration to attain 96 % and 91% at 10−3 M of IM-Cl and IM-CH3 respectively. EISdatais analyzed to model the inhibition process through appropriate equivalent circuit model. Thermodynamic and kinetic parameters controlling the adsorption process are calculated and discussed. DFT calculations are carried out at the B3LYP levels of theory with 6-31G (d,p) basis stein gas and aqueous phase for neutral and protonated forms. Quantum chemical calculations section of the study provides enough calculation and discussion on the relationship between corrosion inhibition and global reactivity descriptors.

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Section: Introductionmentioning

confidence: 99%

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Ouakki

Galai

Rbaa

et al. 2019

Heliyon

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106

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“…According to previous research, when the ΔG° ads value is approximately −20 kJ/mol or less, it indicates a physical adsorption mechanism between the charged inhibitor and the charged metal. Conversely, if the ΔG° ads value is approximately −40 kJ/mol or higher, it suggests a chemisorption mechanism [ 53 ]. The Langmuir isotherm was used to calculate the ΔG° ads values for THTQ, as it was found to be the best-fitting model for the studied molecules.…”

Section: Resultsmentioning

confidence: 99%

“…However, parameter (a) obtained from Temkin isotherm had a negative value, which led us to suggests that there is a presence of a repulsive interaction between the adsorbed molecules. [53]. The Langmuir isotherm was used to calculate the ∆G • ads values for THTQ, as it was found to be the best-fitting model for the studied molecules.…”

Section: Isotherms Linear Equations Descriptionsmentioning

confidence: 99%

Synthesis, Characterization, Antibacterial, Antifungal and Anticorrosion Activities of 1,2,4-Triazolo[1,5-a]quinazolinone

et al. 2023

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The synthesis of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one (THTQ), a potentially biologically active compound, was pursued, and its structure was determined through a sequence of spectral analysis, including 1H-NMR, 13C-NMR, IR, and HRMS. Four bacterial and four fungal strains were evaluated for their susceptibility to the antibacterial and antifungal properties of the THTQ compound using the well diffusion method. The impact of THTQ on the corrosion of mild steel in a 1 M HCl solution was evaluated using various methods such as weight loss, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) analysis. The study revealed that the effectiveness of THTQ as an inhibitor increased with the concentration but decreased with temperature. The PDP analysis suggested that THTQ acted as a mixed-type inhibitor, whereas the EIS data showed that it created a protective layer on the steel surface. This protective layer occurs due to the adsorption behavior of THTQ following Langmuir’s adsorption isotherm. The inhibition potential of THTQ is also predicted theoretically using DFT at B3LYP and Monte Carlo simulation.

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“…The HOMO structures of the molecules are shown in Figure . It can be seen from this figure where the molecules will give electrons to metal atoms . The activity of a molecule increases when HOMO energy value increases.…”

Section: Resultsmentioning

confidence: 99%

Turn‐on fluorescent probe for Zn²⁺ ions based on thiazolidine derivative

Bilgiçli

Günsel

et al. 2020

Applied Organom Chemis

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In this study, simple on–off fluorescent/UV–visible (UV–Vis) probes were easily prepared using 2‐(2‐hydroxyphenyl)thiazolidine‐4‐carboxylic acid (Sen‐1) and/or 2‐(2‐hydroxy‐5‐nitrophenyl)thiazolidine‐4‐carboxylic acid (Sen‐2) for fast detection of Zn2+ ions. Their sensing properties towards common metal ions were investigated using UV–Vis and fluorescence spectroscopies. Sen‐1 and Sen‐2 displayed a significant change with the addition of Zn2+ ions in the UV–Vis spectra. The addition of Zn2+ ions induced a 104 nm bathochromic shift for Sen‐1. The binding ratio towards Zn2+ metal ions was determined to be 1:1 by using Job plot analysis and fluorescence spectroscopy. The association constant and free energy (ΔG) of Sen‐1 and Sen‐2 towards Zn2+ ions were calculated by the Benesi–Hildebrand equation. The limit of detection of Sen‐1 towards Zn2+ ions is 3.73 × 10−8 M, which is about 1/100 of the value recommended by the World Health Organization for drinking water. Sen‐1 was successfully applied to detect Zn2+ ions in water samples and the fluorescence test strip was prepared for visual detection of Zn2+ ions. Finally, the quantum chemical parameters of Sen‐1 and Sen‐2, such as highest occupied molecular orbital, lowest unoccupied molecular orbital, and chemical hardness, were investigated by the Becke, three‐parameter, Lee–Yang–Parr, Hartree–Fock, and M062x methods.

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Electrochemical and Computational Studies of Some Triazepine Carboxylate Compounds as Acid Corrosion Inhibitors for Mild Steel

Cited by 48 publications

References 51 publications

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Synthesis, Characterization, Antibacterial, Antifungal and Anticorrosion Activities of 1,2,4-Triazolo[1,5-a]quinazolinone

Turn‐on fluorescent probe for Zn²⁺ ions based on thiazolidine derivative

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Electrochemical and Computational Studies of Some Triazepine Carboxylate Compounds as Acid Corrosion Inhibitors for Mild Steel

Cited by 48 publications

References 51 publications

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium

Synthesis, Characterization, Antibacterial, Antifungal and Anticorrosion Activities of 1,2,4-Triazolo[1,5-a]quinazolinone

Turn‐on fluorescent probe for Zn2+ ions based on thiazolidine derivative

Contact Info

Product

Resources

About

Turn‐on fluorescent probe for Zn²⁺ ions based on thiazolidine derivative