Study of new amphiphiles based on ferrocene containing thioureas as efficient corrosion inhibitors: Gravimetric, electrochemical, SEM and DFT studies

Fatima, Saira; Sharma, Rajendra; Asghar, Faiza; Kamal, Ajar; Badshah, Amin; Kraatz, Heinz‐Bernhard

doi:10.1016/j.jiec.2019.04.003

Cited by 47 publications

(25 citation statements)

References 68 publications

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“…Physical adsorption involves weak bonds, while chemical adsorption involves the transfer or sharing of electrons between the inhibitor molecules and the unsaturated "d" orbitals of the metal surface, resulting in the formation of covalent bonds (strong bonds). The different experimental techniques have allowed some authors to explain these different types of adsorption [26][27][28][29]. Although experimental techniques have been successful in capturing inhibition performance, they are expensive and time consuming.…”

Section: Introductionmentioning

confidence: 99%

Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3

et al. 2020

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The use of computational chemistry as an effective means of designing eco-friendly organic corrosion inhibitors has been greatly enhanced by the development of Density Functional Theory (DFT). In this study, the inhibitory activity of four antiretroviral drugs, namely, lamivudine, emtricitabine, didanosine and stavudine, was analyzed by this theory. The quantum chemical parameters/descriptors calculated using DFT at B3LYP/6-31G(d) level were used to explain the mechanism of electron transfer between the inhibitors and the copper surface. The results showed that these compounds adsorb on copper surface. It is important to consider the effect of films formed by the adsorption products. In addition, the Fukui functions and the dual descriptor were used as indicators to locate the electrophilic and nucleophilic attack sites within each compound. Finally, the DFT has enabled to accurately predict the adsorption properties and the good inhibition performance of the molecules in the solution studied.

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Section: Introductionmentioning

confidence: 99%

Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3

et al. 2020

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“…Elemental analyses of C, H and N were recorded on a VxRio EL Instrument. The 1 H and 13 C NMR spectra were recorded with a Bruker AM-400 spectrometer, using tetramethylsilane as the internal standard. The solid-state IR spectra were recorded from KBr discs on a FTIR Spectrum Two of Perkin Elmer spectrophotometer in the 4000-400 cm -1 range.…”

Section: Potassiummentioning

confidence: 99%

“…Thiourea derivatives are also reported as organic inhibitors for corrosion. This property is due to the easily protonation of the sulfur atom in acidic medium [12,13]. In the recent past we have started to study the coordination of some ligands derived from thiourea having a number of interesting properties.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization and Crystal Structure of 1-(2-benzamidophenyl)-3-benzoylthiourea Hemihydrate

Faye¹,

Sylla-Gueye²,

Thiam³

et al. 2020

SJC

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The dissymmetric compound C 21 H 17 N 3 O 2 S.0.5H 2 O obtained by a reaction of 1,2-diaminobenzene, potassium thiocyanate and benzoyl chloride in 1/1/2 ratio is characterized by elemental analyses, IR, and NMR spectroscopies. The structure is elucidated by X-ray diffraction technic. The compound crystallizes in the monoclinic system with a space group of I2. The asymmetric unit contains one hemihydrate organic molecule. The title thiourea derivative, features an almost planar, C 2 N 2 S (S1/N1/N2/C7/C8) moiety, with a maximum deviation from the least-squares plane of 0.0422 (3) Å. This moiety is flanked by a disubstituted and a monosubstituted phenyl rings. The dihedral angles between the thiourea and the monosubstituted phenyl ring and the thiourea and the central disubstituted phenyl ring are respectively 10.418 (7)° and 60.292 (2)°, indicating twist in the molecule. On the other arm, a phenyl ring supported by an amide function, which is linked to the central ring through the nitrogen atom, is present. The dihedral angle between this phenyl group and the central disubstituted phenyl is 76.862 (7)° showing that their mean planes are not coplanar. Intramolecular S(thiono)-H…O(water) hydrogen bonds which close in S(6) and S(7) rings consolidate the conformation. Intermolecular N(amido)-H…O(carbonyl) which form layers parallel to the ac plane stabilized the structure.

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“…This ability to participate in hydrogen bonding, which can be further modified by the appropriate substitution of nitrogen atoms, is essential for numerous applications of this class of organic compounds, mainly in organocatalysis and molecular recognition. Thioureas are also widely applied in agriculture and medicine [4][5][6][7], and as corrosion inhibitors [8][9][10][11]. For almost 20 years they have been used as catalysts in organic synthesis, especially in stereoselective reactions [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Chiral Thioureas—Preparation and Significance in Asymmetric Synthesis and Medicinal Chemistry

et al. 2020

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For almost 20 years, thioureas have been experiencing a renaissance of interest with the emerged development of asymmetric organocatalysts. Due to their relatively high acidity and strong hydrogen bond donor capability, they differ significantly from ureas and offer, appropriately modified, great potential as organocatalysts, chelators, drug candidates, etc. The review focuses on the family of chiral thioureas, presenting an overview of the current state of knowledge on their synthesis and selected applications in stereoselective synthesis and drug development.

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Study of new amphiphiles based on ferrocene containing thioureas as efficient corrosion inhibitors: Gravimetric, electrochemical, SEM and DFT studies

Cited by 47 publications

References 68 publications

Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3

Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3

Synthesis, Characterization and Crystal Structure of 1-(2-benzamidophenyl)-3-benzoylthiourea Hemihydrate

Chiral Thioureas—Preparation and Significance in Asymmetric Synthesis and Medicinal Chemistry

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