Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives
Three novel 1,2,3-triazolyl-acridine derivatives (abbreviated as TTA, ATM, and ATA) were synthesized via a fast ultrasound-assisted copper-catalyzed azide-alkyne cycloaddition (CuAAC) in good yields. They were studied as corrosion inhibitors for 1020 mild steel in acidic media (1 mol/L HCl) using gr...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-01-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535223008638 |
| _version_ | 1827583809045921792 |
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| author | Caio Machado Fernandes Renato C.S. Lessa Dora C.S. Costa Lucas Guedes Vinicius Martins Awad A. Al-Rashdi Vitor Francisco Ferreira Fernando de C. da Silva Júlio César M. Silva Marcela C. de Moraes Hassane Lgaz Eduardo A. Ponzio |
| author_facet | Caio Machado Fernandes Renato C.S. Lessa Dora C.S. Costa Lucas Guedes Vinicius Martins Awad A. Al-Rashdi Vitor Francisco Ferreira Fernando de C. da Silva Júlio César M. Silva Marcela C. de Moraes Hassane Lgaz Eduardo A. Ponzio |
| author_sort | Caio Machado Fernandes |
| collection | DOAJ |
| description | Three novel 1,2,3-triazolyl-acridine derivatives (abbreviated as TTA, ATM, and ATA) were synthesized via a fast ultrasound-assisted copper-catalyzed azide-alkyne cycloaddition (CuAAC) in good yields. They were studied as corrosion inhibitors for 1020 mild steel in acidic media (1 mol/L HCl) using gravimetric and electrochemical measurements. Weight Loss Study showed that those molecules have anticorrosive efficiency varying from 85 to 94 % at 1 mmol/L (298 K). They also increased their corrosion mitigation at higher temperatures, reaching up to 90–96 % at 338 K. Isotherm fitting revealed that all developed corrosion inhibitors follow the Langmuir theory and data crossing confirmed the monolayer formation. Atomic Force Microscopy suggested the presence of a protective film on the metal surface and Electrochemical Impedance Spectroscopy, Linear Polarization Resistance, and Electrochemical Frequency Modulation showed a better charge transfer and polarization resistance alongside a lower corrosion current density in the presence of TTA, ATM, and ATA in the corrosive media. Also, polarization curves characterized all three organic molecules as mixed-type corrosion inhibitors for mild steel. First-principles density functional theory (DFT) simulations revealed that all molecules form covalent bonds with iron atoms upon adsorption on Fe(110) surface. The ATA molecule exhibited a bond-breaking upon adsorption and had a higher interaction energy with the iron surface. The chemical interactions between inhibitors’ molecules and iron atoms were confirmed by projected density of states analysis, showing a strong hybridization between molecules’ orbitals and 3d iron orbitals. |
| first_indexed | 2024-03-08T23:12:07Z |
| format | Article |
| id | doaj.art-0feff1cb68a0437cbe79e4394da2721e |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-03-08T23:12:07Z |
| publishDate | 2024-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-0feff1cb68a0437cbe79e4394da2721e2023-12-15T07:23:26ZengElsevierArabian Journal of Chemistry1878-53522024-01-01171105401Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivativesCaio Machado Fernandes0Renato C.S. Lessa1Dora C.S. Costa2Lucas Guedes3Vinicius Martins4Awad A. Al-Rashdi5Vitor Francisco Ferreira6Fernando de C. da Silva7Júlio César M. Silva8Marcela C. de Moraes9Hassane Lgaz10Eduardo A. Ponzio11Laboratório de Materiais da UFF, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilBioCrom, Laboratório de Cromatografia de Bioafinidade e Química Ambiental, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilLabSOA, Laboratório de Síntese Orgânica Aplicada, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilLaboratório de Materiais da UFF, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilLaboratório de Materiais da UFF, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilChemistry Department, Umm Al-Qura University, Al-Qunfudah University College, Saudi ArabiaLabSOA, Laboratório de Síntese Orgânica Aplicada, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilLabSOA, Laboratório de Síntese Orgânica Aplicada, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilLaboratório de Materiais da UFF, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilBioCrom, Laboratório de Cromatografia de Bioafinidade e Química Ambiental, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, BrazilInnovative Durable Building and Infrastructure Research Center, Center for Creative Convergence Education, Hanyang University ERICA, 55 Hanyangdaehak-ro, Sangrok-gu, Ansan-si, Gyeonggi-do 15588, Republic of Korea; Corresponding author.Laboratório de Materiais da UFF, Instituto de Química, Universidade Federal Fluminense, Niterói, 24020-141, Rio de Janeiro, Brazil; Corresponding author.Three novel 1,2,3-triazolyl-acridine derivatives (abbreviated as TTA, ATM, and ATA) were synthesized via a fast ultrasound-assisted copper-catalyzed azide-alkyne cycloaddition (CuAAC) in good yields. They were studied as corrosion inhibitors for 1020 mild steel in acidic media (1 mol/L HCl) using gravimetric and electrochemical measurements. Weight Loss Study showed that those molecules have anticorrosive efficiency varying from 85 to 94 % at 1 mmol/L (298 K). They also increased their corrosion mitigation at higher temperatures, reaching up to 90–96 % at 338 K. Isotherm fitting revealed that all developed corrosion inhibitors follow the Langmuir theory and data crossing confirmed the monolayer formation. Atomic Force Microscopy suggested the presence of a protective film on the metal surface and Electrochemical Impedance Spectroscopy, Linear Polarization Resistance, and Electrochemical Frequency Modulation showed a better charge transfer and polarization resistance alongside a lower corrosion current density in the presence of TTA, ATM, and ATA in the corrosive media. Also, polarization curves characterized all three organic molecules as mixed-type corrosion inhibitors for mild steel. First-principles density functional theory (DFT) simulations revealed that all molecules form covalent bonds with iron atoms upon adsorption on Fe(110) surface. The ATA molecule exhibited a bond-breaking upon adsorption and had a higher interaction energy with the iron surface. The chemical interactions between inhibitors’ molecules and iron atoms were confirmed by projected density of states analysis, showing a strong hybridization between molecules’ orbitals and 3d iron orbitals.http://www.sciencedirect.com/science/article/pii/S18785352230086381,2,3-triazoleAcridineCorrosion inhibitorElectrochemistryDFTBMolecular dynamics |
| spellingShingle | Caio Machado Fernandes Renato C.S. Lessa Dora C.S. Costa Lucas Guedes Vinicius Martins Awad A. Al-Rashdi Vitor Francisco Ferreira Fernando de C. da Silva Júlio César M. Silva Marcela C. de Moraes Hassane Lgaz Eduardo A. Ponzio Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives Arabian Journal of Chemistry 1,2,3-triazole Acridine Corrosion inhibitor Electrochemistry DFTB Molecular dynamics |
| title | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives |
| title_full | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives |
| title_fullStr | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives |
| title_full_unstemmed | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives |
| title_short | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives |
| title_sort | experimental and theoretical evaluation of the anticorrosive proprieties of new 1 2 3 triazolyl acridine derivatives |
| topic | 1,2,3-triazole Acridine Corrosion inhibitor Electrochemistry DFTB Molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S1878535223008638 |
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