TY - JOUR
T1 - Adsorption, electrochemistry, DFT and inhibitive effect of imines derived from tribulin on corrosion of mild steel in 1 M HCl
AU - Bahron, Hadariah
AU - Ghani, Aliyin Abdul
AU - Anouar, El Hassane
AU - Embong, Zaidi
AU - Alharthi, Abdulrahman I.
AU - Harun, Mohamad Kamal
AU - Alias, Yatimah
N1 - Publisher Copyright:
© 2021
PY - 2021/7/5
Y1 - 2021/7/5
N2 - The corrosion efficiency on mild steel in 1 M HCl of three imines obtained from the condensation of tribulin with aniline derivatives, namely 3-(phenylimino) indolin-2-one (TANH), 3-(4-hydroxyphenylimino) indolin-2-one (TANO) and 3-(4-chlorophenylimino) indolin-2-one (TANC) are investigated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization technique. TANO exhibited the highest corrosion inhibition efficiency followed by TANC and TANH at optimum concentration of 1.0 mM. Langmuir's adsorption isotherm and X-ray photoelectron spectroscopy (XPS) showed that the adsorption mechanism is a prominent chemisorption phenomenon than physisorption. Based on XPS analysis, the highest inhibition efficiency of TANO was contributed by C–O and C–N molecules presented in the compound. The active binding sites of TANH, TANO, and TANC on the mild steel surface were determined by calculating Mulliken atomic charges and analysis of the electrostatic potential surface (ESP) at the B3LYP/6-311+G(d,p) level of theory. The correlation of imines inhibition efficiencies with its electronic parameters was investigated and the result showed that the corrosion inhibition efficiency of imines was governed mainly by the frontier orbital energy gap, the chemical softness, and chemical hardness properties.
AB - The corrosion efficiency on mild steel in 1 M HCl of three imines obtained from the condensation of tribulin with aniline derivatives, namely 3-(phenylimino) indolin-2-one (TANH), 3-(4-hydroxyphenylimino) indolin-2-one (TANO) and 3-(4-chlorophenylimino) indolin-2-one (TANC) are investigated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization technique. TANO exhibited the highest corrosion inhibition efficiency followed by TANC and TANH at optimum concentration of 1.0 mM. Langmuir's adsorption isotherm and X-ray photoelectron spectroscopy (XPS) showed that the adsorption mechanism is a prominent chemisorption phenomenon than physisorption. Based on XPS analysis, the highest inhibition efficiency of TANO was contributed by C–O and C–N molecules presented in the compound. The active binding sites of TANH, TANO, and TANC on the mild steel surface were determined by calculating Mulliken atomic charges and analysis of the electrostatic potential surface (ESP) at the B3LYP/6-311+G(d,p) level of theory. The correlation of imines inhibition efficiencies with its electronic parameters was investigated and the result showed that the corrosion inhibition efficiency of imines was governed mainly by the frontier orbital energy gap, the chemical softness, and chemical hardness properties.
KW - Corrosion inhibition
KW - Density functional theory
KW - Electrostatic potential surface
KW - Imine
KW - Mild steel
KW - X-ray photoelectron spectroscopy
UR - http://www.scopus.com/inward/record.url?scp=85102298911&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2021.130206
DO - 10.1016/j.molstruc.2021.130206
M3 - Article
AN - SCOPUS:85102298911
SN - 0022-2860
VL - 1235
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
M1 - 130206
ER -