Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution.
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| Title: | Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution. |
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| Authors: | Zerrouk, Mohammed1 (AUTHOR), Ech-chihbi, Elhachmia2,3 (AUTHOR), Er-rajy, Mohammed4 (AUTHOR), Ayub, Ali Raza5 (AUTHOR), Azzaoui, Khalil1 (AUTHOR), Sabbahi, Rachid6 (AUTHOR), Hammouti, Belkheir2 (AUTHOR), Ouarsal, Rachid1 (AUTHOR), Lachkar, Mohammed1 (AUTHOR), Bali, Brahim El1 (AUTHOR) b_elbali@yahoo.com |
| Source: | Inorganic Chemistry Communications. Jun2025, Vol. 176, pN.PAG-N.PAG. 1p. |
| Subjects: | Molecular structure, Molecular orbitals, Infrared spectroscopy, Density functional theory, Electric potential |
| Abstract: | [Display omitted] • (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] was synthesized in solution. • FTIR spectrum confirms the the phosphite's bands. • TGA-DTA confirms the full loss of the organic part. • The synthesized product acts as an inhibitor. • Adsorption follows Langmuir isotherm. Under normal conditions, the chemical (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] has been synthesized using the ethylenediamine molecule as a template. Both X-ray diffraction and infrared spectroscopy were used to characterize the title compound. TGA-DTA measurements revealed the thermal stability of the studied complex up to 423 K. The optimal molecular structure and the infrared radiation intensity were determined using density functional theory (DFT/B3LYP) methods with the LanL2DZ basis set; the bands found in the experimental and calculated IR spectra corresponded to the vibrations of the ethylenediammonium cation and the phosphite anion. In addition, boundary molecular orbital (HOMO-LUMO) plots and molecular electrostatic potential (MEP) surfaces are obtained to understand better the electronic properties and reactive sites of chemical species. The calculated structural parameters are in good agreement with the experimental results. Anticorrosive behavior of (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] on C38 steel in 1M-HCl has been studied using the weight loss method, electrochemical impedance spectroscopy (EIS) and potentiodynamic dynamic polarization techniques. As the concentration of the studied inhibitor increases, The corrosion rate decreases with increasing inhibitor concentration, enhancing inhibition efficiency. A proposed mechanism suggests that adsorption occurs via electrostatic interactions and coordination bonding, forming a protective barrier that inhibits corrosion. [ABSTRACT FROM AUTHOR] |
| Copyright of Inorganic Chemistry Communications is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 184229741 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Zerrouk%2C+Mohammed%22">Zerrouk, Mohammed</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ech-chihbi%2C+Elhachmia%22">Ech-chihbi, Elhachmia</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Er-rajy%2C+Mohammed%22">Er-rajy, Mohammed</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ayub%2C+Ali+Raza%22">Ayub, Ali Raza</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Azzaoui%2C+Khalil%22">Azzaoui, Khalil</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Sabbahi%2C+Rachid%22">Sabbahi, Rachid</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hammouti%2C+Belkheir%22">Hammouti, Belkheir</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ouarsal%2C+Rachid%22">Ouarsal, Rachid</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lachkar%2C+Mohammed%22">Lachkar, Mohammed</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bali%2C+Brahim+El%22">Bali, Brahim El</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> b_elbali@yahoo.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Inorganic+Chemistry+Communications%22">Inorganic Chemistry Communications</searchLink>. Jun2025, Vol. 176, pN.PAG-N.PAG. 1p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+orbitals%22">Molecular orbitals</searchLink><br /><searchLink fieldCode="DE" term="%22Infrared+spectroscopy%22">Infrared spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Electric+potential%22">Electric potential</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: [Display omitted] • (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] was synthesized in solution. • FTIR spectrum confirms the the phosphite's bands. • TGA-DTA confirms the full loss of the organic part. • The synthesized product acts as an inhibitor. • Adsorption follows Langmuir isotherm. Under normal conditions, the chemical (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] has been synthesized using the ethylenediamine molecule as a template. Both X-ray diffraction and infrared spectroscopy were used to characterize the title compound. TGA-DTA measurements revealed the thermal stability of the studied complex up to 423 K. The optimal molecular structure and the infrared radiation intensity were determined using density functional theory (DFT/B3LYP) methods with the LanL2DZ basis set; the bands found in the experimental and calculated IR spectra corresponded to the vibrations of the ethylenediammonium cation and the phosphite anion. In addition, boundary molecular orbital (HOMO-LUMO) plots and molecular electrostatic potential (MEP) surfaces are obtained to understand better the electronic properties and reactive sites of chemical species. The calculated structural parameters are in good agreement with the experimental results. Anticorrosive behavior of (C 2 H 10 N 2)[Co(H 2 PO 3) 2 Cl 2 ] on C38 steel in 1M-HCl has been studied using the weight loss method, electrochemical impedance spectroscopy (EIS) and potentiodynamic dynamic polarization techniques. As the concentration of the studied inhibitor increases, The corrosion rate decreases with increasing inhibitor concentration, enhancing inhibition efficiency. A proposed mechanism suggests that adsorption occurs via electrostatic interactions and coordination bonding, forming a protective barrier that inhibits corrosion. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Inorganic Chemistry Communications is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.inoche.2025.114329 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 1 StartPage: N.PAG Subjects: – SubjectFull: Molecular structure Type: general – SubjectFull: Molecular orbitals Type: general – SubjectFull: Infrared spectroscopy Type: general – SubjectFull: Density functional theory Type: general – SubjectFull: Electric potential Type: general Titles: – TitleFull: Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Zerrouk, Mohammed – PersonEntity: Name: NameFull: Ech-chihbi, Elhachmia – PersonEntity: Name: NameFull: Er-rajy, Mohammed – PersonEntity: Name: NameFull: Ayub, Ali Raza – PersonEntity: Name: NameFull: Azzaoui, Khalil – PersonEntity: Name: NameFull: Sabbahi, Rachid – PersonEntity: Name: NameFull: Hammouti, Belkheir – PersonEntity: Name: NameFull: Ouarsal, Rachid – PersonEntity: Name: NameFull: Lachkar, Mohammed – PersonEntity: Name: NameFull: Bali, Brahim El IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 13877003 Numbering: – Type: volume Value: 176 Titles: – TitleFull: Inorganic Chemistry Communications Type: main |
| ResultId | 1 |
