Effective corrosion inhibition of mild steel using novel 1,3,4-oxadiazole-pyridine hybrids: Synthesis, electrochemical, morphological, and computational insights

Deepak Sharma; Abhinay Thakur; Manish Kumar Sharma; Renu Sharma; Suresh Kumar; Ashish Sihmar; Hariom Dahiya; Gaurav Jhaa; Ashish Kumar; Ashok Kumar Sharma; Hari Om

doi:10.1016/j.envres.2023.116555

Effective corrosion inhibition of mild steel using novel 1,3,4-oxadiazole-pyridine hybrids: Synthesis, electrochemical, morphological, and computational insights

Environ Res. 2023 Oct 1:234:116555. doi: 10.1016/j.envres.2023.116555. Epub 2023 Jul 6.

Authors

Affiliations

¹ Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India.
² Department of Chemistry, School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144402, India.
³ Department of Physics, J. C. Bose University of Science and Technology, YMCA, Faridabad, 121006, India.
⁴ Department of Chemistry, M. D. University, Rohtak, 124001, India.
⁵ Department of Chemistry, Chemical Information Sciences Laboratory, Pondicherry University, Puducherry, 605014, India.
⁶ NCE, Department of Science and Technology, Government of Bihar, 803101, India.
⁷ Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India. Electronic address: draksharma.chem@dcrustm.org.
⁸ Department of Chemistry, Deenbandhu Chhotu Ram University of Science & Technology, Murthal, 131039, India. Electronic address: hariom.chem@dcrustm.org.

PMID: 37419199
DOI: 10.1016/j.envres.2023.116555

Abstract

An easy synthesis of two 1,3,4-oxadiazole derivatives, namely, 2-phenyl-5-(pyridin-3-yl)-1,3,4-oxadiazole (POX) and 2-(4-methoxyphenyl)-5-(pyridin-3-yl)-1,3,4-oxadiazole (4-PMOX), and their corrosion-inhibition efficacy against mild steel corrosion in 1 N HCl, is evaluated using weight loss from 303 to 323 K, Electrochemical Impedance Spectroscopy (EIS), Potentiodynamic Polarization (PDP), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX), UV-Vis spectroscopy, along with theoretical evaluation. Both POX and 4-PMOX exhibit excellent inhibition efficiency, with values reaching 97.83% and 98% at 500 ppm, respectively. The PDP analysis reveals that both derivatives act as mixed-type inhibitors. The Langmuir adsorption isotherm provides insights into the adsorption phenomena, demonstrating that 4-PMOX exhibits superior adsorption behavior on the mild steel surface compared to POX. This finding is further supported by SEM, DFT, RDF, and MSD analyses. Quantum mechanical parameters, including E_HOMO, E_LUMO, dipole moment (μ), energy gap (ΔE), etc., are in good agreement with the effectiveness of inhibition performance revealing ΔE values of 3.10 and 2.75 for POX and 4-PMOX, respectively. The results obtained from this study hold significant implications for researchers aiming to design more efficient organic inhibitors to combat metal corrosion.

Keywords: 1,3,4-Oxadiazole derivatives; Adsorption; Corrosion; EIS; Mild steel; Synthesis.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Corrosion
Oxadiazoles*
Pyridines
Steel* / chemistry

Substances

1,3,4-oxadiazole
Steel
Oxadiazoles
Pyridines