Corrosion performance of Schiff base derived from 2, 5-dimethoxybenzyaldehyde: X-ray structure, experimental and DFT studies

Eze, Samson I.; Ibeji, Collins U.; Akpan, Ekemini D.; Ezeorah, Chigozie Julius; Okpareke, Obinna C.; Groutso, Tania; Atiga, Simeon; Akpomie, Kovo G.; Ekowo, Lilian Chinenye

doi:10.1007/s11696-022-02244-7

Cited by 3 publications

(3 citation statements)

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“…Two benzene rings and the substituent -CH 3 , -OH and -OCH 3 are present in the structure of this compound. The EHOMO value obtained for this compound is higher, and the ELUMO value is lower, compared to the aliphatic Schiff bases studied in this work [ 44 ]. A comparison of the values shown in Figure 6 and in the paper indicates that, also, in the HCL environment, the presence of benzene rings positively affects the corrosion inhibition performance.…”

Section: Resultsmentioning

confidence: 74%

“…DFT studies in an HCL medium were also carried out by Eze et al [ 44 ] for 2-[(E)-(2,5-dimethoxybenzylidene) amino]-4-methylphenol (DMPC) bases. Two benzene rings and the substituent -CH 3 , -OH and -OCH 3 are present in the structure of this compound.…”

Section: Resultsmentioning

confidence: 99%

“…A comparison of the values shown in Figure 6 and in the paper indicates that, also, in the HCL environment, the presence of benzene rings positively affects the corrosion inhibition performance. In the work [ 44 ], inhibition of the co-corrosion process was obtained at the level of 87–97%, indicating that the values obtained for aliphatic Schiff bases should be lower.…”

Section: Resultsmentioning

confidence: 99%

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Computational Design of Anticorrosion Properties of Novel, Low-Molecular Weight Schiff Bases

Malinowski

2022

Materials

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Due to the many economic consequences and technological problems caused by the corrosion process, its inhibition is one of the most important aspects of ongoing research. Computer methods, i.e., density functional theory (DFT) methods, are of great importance to the large-scale research being conducted which allows the evaluation of the corrosion inhibition performance without conducting time-consuming, long-term and expensive experimental measurements. In this study, new corrosion inhibitors were designed in three corrosion environments on the basis of their HOMO and LUMO orbital energies—the energy difference between them and their dipole moment. In addition, their interactions with the Fe and Cu surface were modelled on the basis of the number of electrons transferred during the formation of the protective adsorption layer (ΔN) and the initial energy between inhibitor molecule and protected metal surface (Δψ). The obtained results indicate that, among the aliphatic investigated Schiff bases, the N-methylpropan-1-imine (N-MP(1)I) molecule would theoretically have the highest corrosion inhibition efficiency mainly due to its high EHOMO value, relatively low ELUMO value, high chemical reactivity and high polarity.

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Section: Resultsmentioning

confidence: 74%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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