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Journal of Electrochemical Science and Engineering, Vol. 15 No. 4, 2025.

Original scientific paper

https://doi.org/10.5599/jese.2770

Performance of newly synthesized pyrimidine derivative as corrosion inhibitor: experimental and quantum chemical investigation

Halis Karataş ; Erciyes University, Faculty of Science, 38039, Kayseri, Türkiye
Mothana Ghazi Kadhim Alfalah orcid id orcid.org/0000-0002-8970-712X ; Materials of Engineering, College of Engineering, University of Al–Qadisiyah, Al–Qadisiyah 58002, Iraq *
Mehmet Izzettin Yilmazer ; Erciyes University, Faculty of Education, 38039, Kayseri, Türkiye
Murat Saracoglu ; Erciyes University, Faculty of Education, 38039, Kayseri, Türkiye
Zulbiye Kokbudak ; Erciyes University, Faculty of Science, 38039, Kayseri, Türkiye
Fatma Kandemirli ; Kastamonu University, Faculty of Engineering and Architecture, 37150, Kastamonu, Türkiye

* Corresponding author.

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Abstract

In this investigation, an alternative Schiff base with a pyrimidine ring was produced through the reaction of (1-amino-4-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)(phe­nyl)me­tha­no­ne (1) with thiophene-2-carboxaldehyde. Structural verification of the resulting com­po­und, designated (E)-phenyl (4-phenyl-1-(thiophen-2-ylmethyleneamino)-2-thioxo-1,2-di­hy­dro­py­rimidin-5-yl)methanone, (PPTT), was accomplished by employing a number of spec­troscopic methods, including 13C-NMR, 1H-NMR, and FTIR. Open-circuit potential, potentiodynamic polarization, linear polarization resistance, and electrochemical impedance spectroscopy were among the electrochemical methods used to evaluate the efficacy of PPTT as a corrosion inhibitor. After one hour of immersion, experimental data showed that PPTT functioned as a mixed-type corrosion inhibitor, attaining up to 83.8 % inhibition for 2 mM PPTT in 1 M HCl solution. Under these conditions, the corrosion current density dropped from 123.2 to 31.4 μA cm-2. Surface adsorption of PPTT on mild steel in 1 M HCl followed the Langmuir adsorption isotherm, consistent with a negative Gibbs free energy value, indicating both chemisorption and physisorption. In addition, multiple quantum che­mical parameters (electronegativity, EHOMO, ELUMO, chemical hardness, chemical softness) were calculated using Gaussian 09 to further elucidate the experimental observations.

Keywords

PyrimidineSchiff base; mild steel; corrosion resistance; electrochemical methods; quantum chemical calculations

Hrčak ID:

333153

URI

https://hrcak.srce.hr/333153

Publication date:

22.6.2025.

Visits: 207 *