Correlation between the molecular structure and the inhibiting effect of some benzimidazole derivatives

Niamien, Paulin Marius; Fodjo, Essy Kouadio; Trokourey, Albert; Yapi, Ahoua; Aka, H.K.; Diabate, D.

doi:10.1016/j.matchemphys.2012.06.025

Cited by 58 publications

(32 citation statements)

References 50 publications

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“…It is effective in basic and near‐neutral , but much less so in acidic solutions Another azole derivative, 2‐mercaptobenzimidazole (2‐MBI), offers higher corrosion protection in acidic environments. 2‐MBI, through its S atom in the mercapto group, is adsorbed strongly to Cu, presumably forming a thick, strongly adsorbed film on the surface .…”

Section: Introductionmentioning

confidence: 99%

Corrosion protection of brasses and zinc in simulated urban rain

Žerjav

Milošev

2015

Materials & Corrosion

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Self-assembled surface layers of benzotriazole (BTAH), 2-mercaptobenzimidazole (2-MBI) and stearic acid (SA), were studied as protective layers for brasses (Cu10Zn and Cu40Zn) and Zn in simulated urban rain (pH¼5). Layers were formed by immersion of samples in ethanol solution of organic inhibitors BTAH, 2-MBI and SA. The results of weight loss immersion tests, polarization measurements and electrochemical impedance measurements showed that SA layers provided the best long term corrosion protection of all tested inhibitors and exhibited the highest contact angles. 2-MBI provided less protection than SA. BTAH can be ruled out as a corrosion inhibitor under tested conditions, because it performed poorly upon long term immersion. In the cases of Cu40Zn and Zn it even promoted corrosion.

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Section: Introductionmentioning

confidence: 99%

Corrosion protection of brasses and zinc in simulated urban rain

Žerjav

Milošev

2015

Materials & Corrosion

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“…Table 3 gives the values of E HOMO , E LUMO and ΔE, which can reflect the chemical stability of inhibitors. As known to all, the low value of E LUMO means the electron-receiving ability of the molecule, while the high value of E HOMO signifies the electron-donating ability of the molecule [41]. The ΔE reflects the chemical stability of inhibitors.…”

Section: Theoretical Calculationsmentioning

confidence: 99%

Halogen-substituted pyrazolo-pyrimidine derivatives as corrosion inhibitors for copper in sulfuric acid solution

2018

Int. J. Corros. Scale Inhib.

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Sulfuric acid is widely used in several industrial fields, such as acid pickling, acid cleaning and acid descaling, which cause serious corrosion issues. Especially, copper being widely applied in industrial is vulnerable to be corroded by the acid. The usage of corrosion inhibitor is one of the most important techniques for controlling the corrosion. Several organic inhibitors containing hetero-atom, π-electrons and double bond have been applied for the corrosion inhibition of copper, which are found to exhibit high inhibiting properties by providing electrons to interact with metal surface. However, the use of several heterocyclic inhibitors has caused negative impact on the environment due to their toxicity and non-biodegradability. In this paper, pyrazolo-pyrimidine derivatives are found to attract great attention owing to their eco-friendly properties. Corrosion inhibited properties of three pyrazolo-pyrimidine derivatives namely 4-amino pyrazolo-pyrimidine (APP), 3-bromine 4-amino pyrazolo-pyrimidine (Br-APP) and 3-iodine 4-amino pyrazolo-pyrimidine (I-APP) on copper in 0.5 M H 2 SO 4 solution were studied using electrochemical method and surface analysis techniques. Corrosion of copper has been largely inhibited by the inhibitors and the inhibited efficiency increase with the augment of concentration. The adsorption isotherms were simulated to explore the adsorption mode of inhibitors. Furthermore, theoretical calculations were applied to research the mechanism of inhibitors on copper.

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“…The potential of benzimidazole and its derivatives as corrosion inhibitors has been widely reported, both in experimental [1][2][3][4] and theoretical studies [5][6][7]. Khaled studied the effect of substituents on the corrosion inhibition efficiency of benzimidazole, namely, 2aminobenzimidazole, 2-(2-pyridyl) benzimidazole, 2-aminomethylbenzimidazole, 2hydroxybenzimidazole using electrochemical impedance spectroscopy (EIS) on iron surfaces in 1 M HCl solutions.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of the substituent effect on corrosion inhibition performance of benzimidazole and its derivatives

Hadisaputra¹,

Purwoko²,

Wajdi³

et al. 2019

Int. J. Corros. Scale Inhib.

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The substituent effects of electron-donating and-withdrawing on the efficiency of corrosion inhibition of benzimidazole and its derivatives have been studied by density functional theory DFT and Møller-Plesset perturbation theory MP2 calculations at aqueous medium. For this investigation, the corrosion inhibition efficiencies of the protonated and non-protonated spesies of benzimidazole and its derivatives were correlated with molecular electronic properties: high occupied molecular orbital (HOMO) and low unoccuppied molecular orbital (LUMO) energies, ionization potential, electron affinity, electronegativity and fraction number of electron transfer. The dipole moment and interaction energy represent the total surface coverage and the strength of the adsorption of inhibitors on the metal surface. Natural bond orbital NBO analysis in term of the second order interaction energies were used to study the contributions of the active sites of inhibitors toward corrosion inhibition performances. The ionization potential of the inhibitors has a strong influence on the efficiency of corrosion inhibitors. It was found that the MP2 method accurately predicted the ionization potential while the DFT failed to mimic the ionization potential of the experimental results. The linear correlation was shown between electronic properties and corrosion inhibition efficiency. Electron donating substituents increase the corrosion inhibition efficiency, whereas electron withdrawing substituents give the opposite effect. The NH 2 substituent contributes highest, whereas NO 2 provides the weakest contribution to the corrosion inhibition efficiency for both non-protonated and protonated species of inhibitors. The second order interaction energy indicated that heteroatom at imidazole position was the main center of electron donating and they received simultaneously significant amount of electron back donation from the metal.

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Correlation between the molecular structure and the inhibiting effect of some benzimidazole derivatives

Cited by 58 publications

References 50 publications

Corrosion protection of brasses and zinc in simulated urban rain

Corrosion protection of brasses and zinc in simulated urban rain

Halogen-substituted pyrazolo-pyrimidine derivatives as corrosion inhibitors for copper in sulfuric acid solution

Theoretical study of the substituent effect on corrosion inhibition performance of benzimidazole and its derivatives

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