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Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies.

ABSTRACT: Three novel N-hydrospiro-chromeno-carbonitriles namely, 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (INH-1), 3-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-2-carbonitrile (INH-2) and 3'-amino-7',7'-dimethyl-2,5'-dioxo-5',6',7',8'-tetrahydro-2H-spiro[acenaphthylene-1,4'-chromene]-2'-carbonitrile (INH-3) were synthesized using the principles of green chemistry and applied as corrosion inhibitors for mild steel in acidic medium using computational simulations and experimental methods. Experimental and computational studies revealed that inhibition effectiveness of the INHs followed the sequence: INH-3 (95.32%) > INH-2 (93.02%) > INH-1 (89.16%). The investigated compounds exhibit mixed-type corrosion inhibition characteristics by blocking the active sites on the surface of mild steel. EIS study revealed that the INHs behave as interface-type corrosion inhibitors. EDX analyses supported the adsorption mechanism of corrosion inhibition. A DFT study carried out for gaseous and aqueous forms of inhibitor molecules indicated that interactions of INHs with the mild steel surface involve charge transfer phenomenon or donor-acceptor interactions. A Monte Carlo (MC) simulation study revealed that only a fractional segment of the molecule lies parallel to the steel surface, since the INH molecules are not completely planar. The results of computational studies and experimental analyses were in good agreement.

SUBMITTER: Quadri TW

PROVIDER: S-EPMC8693851 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

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Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies.

Quadri Taiwo W TW Olasunkanmi Lukman O LO Akpan Ekemini D ED Alfantazi Akram A Obot I B IB Verma Chandrabhan C Al-Mohaimeed Amal M AM Ebenso Eno E EE Quraishi M A MA

RSC advances 20210111 4

Three novel <i>N</i>-hydrospiro-chromeno-carbonitriles namely, 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (INH-1), 3-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-2-carbonitrile (INH-2) and 3'-amino-7',7'-dimethyl-2,5'-dioxo-5',6',7',8'-tetrahydro-2<i>H</i>-spiro[acenaphthylene-1,4'-chromene]-2'-carbonitrile (INH-3) were synthesized using the principles of green chemistry and applied as corrosion inhibitor ...[more]

PMID: 35424174

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Project description:In the present study the authors' main goal is to avoid the corrosive attack of the chloride ions of 3.5% NaCl solution in saline medium on the mild steel (MS), by addition of small amount of a new derivative of the hydrazide called ligand (HL), as a corrosion inhibitor. This study had been achieved by employing different electrochemical measurements such as, open circuit potential (OCP), electrochemical impedance spectroscopy (EIS) and potentio-dynamic polarization (PDP) methods. The results of the electrochemical test (OCP), showed that, the open circuit potential of the mild steel in saline solution, was guided to more positive direction in presence of the ligand (HL), at its ideal concentration (1 × 10-3 M), compared to the (OCP), of the mild steel in absence of (HL). The results of the electrochemical methods, EIS and PDP presented that, the ligand (HL), was acted as a good corrosion inhibitor for hindering the corrosion process of the mild steel in 3.5% sodium chloride, as it was recorded a good percentage of the inhibition efficiency (77.45%, 53.41%, by EIS and PDP techniques respectively), at its optimum concentration (1 × 10-3 M). Also, the corrosion rate of the mild steel in the saline medium without (HL), was listed about (0.0017 mm/year), while in existence of (HL), was decreased to a value about (0.00061 mm/year). As well, some of electrical properties of (HL), and its derivative [Pd(II), Cr(III), and Ru(III)], complexes were investigated such as; the activation energy (Ea(ac)), which recorded values in the range of 0.02-0.44 (eV) range and electrical conductivity which listed values at room temperature in the range of 10-5-10-8 S.cm-1. The results of the AC and DC electrical conductivity measurements for (HL), and its derivative [Pd(II), Cr(III) and Ru(III)] complexes indicate semiconducting nature which suggests that these compounds could be used in electronic devices. Also, the complexes exhibited higher conductivity values than (HL). Photophysical studies showed good florescence properties of HL that indicated that it can be used to determine most of the drugs with no fluorescence properties by quenching and calculating quantum yield. Moreover, the hydrazide ligand (HL), has shown selectivity as an active anticancer candidate drug for both breast and colon cancer in humans. Density function theory demonstrated that, the frontier molecular orbital HOMOs of the complexes have exhibited similar behavior and the charge density has localized in the metallic region of all the studied complexes. Also, the values of the energy gap of the ligand (HL), and its complexes Pd(II), Cr(III) and Ru(III), had been arranged in this order HL > Cr(III) > Ru(III) > Pd(II). All characterization using different spectroscopic techniques were reported to elucidate the proposed structures such as; thermal analysis, elemental analysis of C, H, and N atoms, spectral analysis using IR, UV, 1H NMR techniques, scanning electron microscopy and energy dispersive X-ray analyses.

Dataset Information

Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies.

Publications

Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies.

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