Matches in SemOpenAlex for { <https://semopenalex.org/work/W3129052015> ?p ?o ?g. }
- W3129052015 endingPage "115553" @default.
- W3129052015 startingPage "115553" @default.
- W3129052015 abstract "Abstract Four benzaldehyde thiosemicarbazone derivatives namely as 2-benzylidene-N-phenylhydrazinecarbothioamide (L1), 2-(4-hydroxybenzylidene)-N-phenylhydrazinecarbothioamide (L2), 2-(4-chlorobenzylidene)-N-phenylhydrazinecarbothioamide (L3), and 2-(4-methylbenzylidene)-N-phenylhydrazinecarbothioamide (L4) were successfully synthesized and elucidated by physical and spectral techniques, to be specific, melting point, elemental analysis (CHNS), infrared spectroscopy (FTIR) and 1H and 13C nuclear magnetic resonance spectroscopy (NMR). These organic corrosion inhibitors behaviour for mild steel (MS) in 1.0 M HCl solution was examined using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. From the electrochemical measurements, most ligands behave as efficient inhibitors for the MS in 1.0 M HCl solution which contribute the maximum inhibition efficiency up to 93.38% for L3. The potentiodynamic polarization measurements unfolds each synthesized compound were mixed-type inhibitor based on the shifting of corrosion potentials (Ecorr) found to be lesser than ±85 mV. The electrochemical impedance spectroscopy (EIS) analysis revealed retardation of metal corrosion succeeded by cause of adsorption of the four thiosemicarbazone derivatives inhibitor molecules at the metal/solution interface. The adsorption of thiosemicarbazone molecules on the low carbon steel surface in 1.0 M HCl solution obeys Langmuir adsorption isotherm. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) demonstrates in the presence of optimum concentration of L1-L4 inhibitors at 0.04 mM indicates greatly reduced surface roughness of MS in comparison with uninhibited solution. The findings were further reinforced via surface elemental analysis of metal/solution interface via X-ray Photoelectron Spectroscopy (XPS), which unveils L3 exhibit the greatest inhibition efficiency. The most plausible reason is due to benzene rings in the molecular structure increases the adsorption ability in supporting the substituent of chloro as well as conjugated double bond of C=N and C=S that chemisorbed along the surface of metal. The oxide species of FeO, Fe2O3 and FeOOH found to be chemisorbed and physisorbed on MS surface. The impact of molecular properties on the corrosion inhibition and the adsorbed sites of L1-L4 on the metal were investigated using density functional theory calculations (DFT) at the B3LYP/6–311 + G (d,p) level of theory. From the Frontier Molecular Orbitals (FMO), the Highest Occupied Molecular Orbitals (HOMO) discloses adsorption of L2 on the MS surface generally due to 2-(4-hydroxybenzylidene)-N-hydrazinecarbothioamide, whereas for L1, L3 and L4 associated to the inclusion of phenyl carbothioamide. The Lowest Occupied Molecular Orbitals (LUMOs) of L1-L4 are comparatively resembling and delocalized of all molecules. DFT reveals protonated thiosemicarbazones exhibits high correlations coefficients as up to 99–100% in comparison to the corresponding neutral forms of the molecules. The increase in the inhibition efficiency of protonated L1, L2 and L3 is proportional to the ∆N and DM." @default.
- W3129052015 created "2021-02-15" @default.
- W3129052015 creator A5041222421 @default.
- W3129052015 creator A5041690609 @default.
- W3129052015 creator A5065658984 @default.
- W3129052015 creator A5067629588 @default.
- W3129052015 creator A5071852055 @default.
- W3129052015 creator A5082307233 @default.
- W3129052015 date "2021-05-01" @default.
- W3129052015 modified "2023-10-01" @default.
- W3129052015 title "Adsorption and corrosion inhibition accomplishment for thiosemicarbazone derivatives for mild steel in 1.0 M HCl medium: Electrochemical, XPS and DFT studies" @default.
- W3129052015 cites W1967647983 @default.
- W3129052015 cites W1971222611 @default.
- W3129052015 cites W1990830369 @default.
- W3129052015 cites W1992851712 @default.
- W3129052015 cites W1996179366 @default.
- W3129052015 cites W1997151511 @default.
- W3129052015 cites W2014444678 @default.
- W3129052015 cites W2028742876 @default.
- W3129052015 cites W2031922689 @default.
- W3129052015 cites W2032829819 @default.
- W3129052015 cites W2038491475 @default.
- W3129052015 cites W2049331020 @default.
- W3129052015 cites W2065283695 @default.
- W3129052015 cites W2067335264 @default.
- W3129052015 cites W2067388833 @default.
- W3129052015 cites W2067723337 @default.
- W3129052015 cites W2068559689 @default.
- W3129052015 cites W2068888462 @default.
- W3129052015 cites W2078526822 @default.
- W3129052015 cites W2093745185 @default.
- W3129052015 cites W2117890940 @default.
- W3129052015 cites W2155176857 @default.
- W3129052015 cites W2219160538 @default.
- W3129052015 cites W2249964448 @default.
- W3129052015 cites W2265379025 @default.
- W3129052015 cites W2313407750 @default.
- W3129052015 cites W2314861923 @default.
- W3129052015 cites W2346085258 @default.
- W3129052015 cites W2434306308 @default.
- W3129052015 cites W2789417588 @default.
- W3129052015 cites W2805752666 @default.
- W3129052015 cites W2887378616 @default.
- W3129052015 cites W2913587980 @default.
- W3129052015 cites W3006400790 @default.
- W3129052015 cites W3042824590 @default.
- W3129052015 cites W3116278752 @default.
- W3129052015 doi "https://doi.org/10.1016/j.molliq.2021.115553" @default.
- W3129052015 hasPublicationYear "2021" @default.
- W3129052015 type Work @default.
- W3129052015 sameAs 3129052015 @default.
- W3129052015 citedByCount "25" @default.
- W3129052015 countsByYear W31290520152021 @default.
- W3129052015 countsByYear W31290520152022 @default.
- W3129052015 countsByYear W31290520152023 @default.
- W3129052015 crossrefType "journal-article" @default.
- W3129052015 hasAuthorship W3129052015A5041222421 @default.
- W3129052015 hasAuthorship W3129052015A5041690609 @default.
- W3129052015 hasAuthorship W3129052015A5065658984 @default.
- W3129052015 hasAuthorship W3129052015A5067629588 @default.
- W3129052015 hasAuthorship W3129052015A5071852055 @default.
- W3129052015 hasAuthorship W3129052015A5082307233 @default.
- W3129052015 hasConcept C127413603 @default.
- W3129052015 hasConcept C13965031 @default.
- W3129052015 hasConcept C147789679 @default.
- W3129052015 hasConcept C150394285 @default.
- W3129052015 hasConcept C17525397 @default.
- W3129052015 hasConcept C175708663 @default.
- W3129052015 hasConcept C178790620 @default.
- W3129052015 hasConcept C179104552 @default.
- W3129052015 hasConcept C185592680 @default.
- W3129052015 hasConcept C192562407 @default.
- W3129052015 hasConcept C20625102 @default.
- W3129052015 hasConcept C42360764 @default.
- W3129052015 hasConcept C52859227 @default.
- W3129052015 hasConcept C83591994 @default.
- W3129052015 hasConceptScore W3129052015C127413603 @default.
- W3129052015 hasConceptScore W3129052015C13965031 @default.
- W3129052015 hasConceptScore W3129052015C147789679 @default.
- W3129052015 hasConceptScore W3129052015C150394285 @default.
- W3129052015 hasConceptScore W3129052015C17525397 @default.
- W3129052015 hasConceptScore W3129052015C175708663 @default.
- W3129052015 hasConceptScore W3129052015C178790620 @default.
- W3129052015 hasConceptScore W3129052015C179104552 @default.
- W3129052015 hasConceptScore W3129052015C185592680 @default.
- W3129052015 hasConceptScore W3129052015C192562407 @default.
- W3129052015 hasConceptScore W3129052015C20625102 @default.
- W3129052015 hasConceptScore W3129052015C42360764 @default.
- W3129052015 hasConceptScore W3129052015C52859227 @default.
- W3129052015 hasConceptScore W3129052015C83591994 @default.
- W3129052015 hasFunder F4320321709 @default.
- W3129052015 hasFunder F4320322780 @default.
- W3129052015 hasLocation W31290520151 @default.
- W3129052015 hasOpenAccess W3129052015 @default.
- W3129052015 hasPrimaryLocation W31290520151 @default.
- W3129052015 hasRelatedWork W1995937440 @default.
- W3129052015 hasRelatedWork W2068311004 @default.
- W3129052015 hasRelatedWork W2327851191 @default.