Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors

Akbaş, Esvet; Yıldız, Ela; Erdogan, A.T.

doi:10.2298/jsc190326081a

Cited by 5 publications

(3 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Therefore, pyrimidine derivatives are expected to be excellent corrosion inhibitors at the industrial level. 19 Quantum chemical calculations (QCCs) are widely used to find the corrosion inhibition reactivity of organic molecules. The effectiveness of an inhibitor can be related not only to its spatial molecular structure but also its molecular electronic structure.…”

Section: Introductionmentioning

confidence: 99%

Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor

Ergan

Seker

Akbaş

et al. 2022

JSCS

Self Cite

View full text Add to dashboard Cite

In this work, we wanted to define a general and comprehensive strategy for the synthesis of tetrazolo[1,5-a]pyrimidine derivatives. For this purpose, we obtained new tetrazolo[1,5-a]pyrimidine molecules via the mercury-promoted desulfurization reaction, including hydrolysis, cyclizations, and eliminations. All of the molecules were characterized by FT-IR, 1H NMR, 13C NMR, and elemental analysis. On the other hand, the potentials of compounds as corrosion inhibitors were calculated at B3LYP / 6-31G (d, p) level via density functional theory (DFT).

show abstract

Section: Introductionmentioning

confidence: 99%

Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor

Ergan

Seker

Akbaş

et al. 2022

JSCS

Self Cite

View full text Add to dashboard Cite

show abstract

“…Corrosion inhibitors are the most practical and profitable way of abating corrosion of metals in aqueous media. [3][4][5][6][7] Molecules with conjugated multiple bonds, aromatic groups and various atoms like oxygen, sulfur and nitrogen display good corrosion inhibiting activities since they are readily adsorbed on metal surfaces. 8 But, due to adverse effects on the environment, many of these compounds cannot be used.…”

Section: Introductionmentioning

confidence: 99%

Anticorrosion activity of 2-thiоhуdantoin-Shiff base derivatives for mild steel in 0.5 M HCl

Stanić

Vukićević

Cvetković

et al. 2022

JSCS

View full text Add to dashboard Cite

Several 2-thiohyd?nt?in-Shiff b?s? derivatives were prepared as eco-friendly corrosion inhibitors for mild steel in acid environment. Their anticorrosion properties were studied on mild steel in 0.5 M HCl solution as corrosion electrolyte by using usu?l gr?vim?tri? and different el??tr??hemic?l techniques (w?ight l?ss m??sur?m?nt, p?t?nti?dyn?mi? p?l?riz?ti?n, p?t?nti?st?ti? ?l??tr??h?mic?l imp?d?n?? s???tr?sc???). Mild steel surface was characterized by using two analytical techniques, scanning electron microscopy for surface morphology and elemental composition and atomic force microscopy. The study has shown that inhibiting action of these environmentally benign inhibitors synthesized from inexpensive commercially available starting materials could be attributed to adsorption on the metal surface.

show abstract

“…Therefore, these molecules are waited to be perfect corrosion inhibitors at industrial level. 23 The inhibition effect of the molecule is mostly related to the electronic structure of the compounds. QCC is widely used to find the electronic properties of compounds.…”

Section: Introductionmentioning

confidence: 99%

Determination of electronic characteristics of tetrahydro pyrimidine derivatives and investigation of usability as anti-corrosion

Akbaş

Okay

Ergan

et al. 2021

International Journal of Chemistry and Technology

View full text Add to dashboard Cite

Corrosion of metallic structures is a serious problem in most industries worldwide. This problem can be controlled by the addition of chemicals capable of adsorption onto the metal surface. The metal can be isolated from the corrosive environment. These chemicals are often selected from groups containing free electron pairs and / or π electrons, which are rich in functional groups. In this study, electronic structures Highest Molecular Orbital (HOMO), Lowest Occupied Molecular Orbital (LUMO), MEP, energy gap (ΔE), ionization potential (I), electron affinity (A), chemical structure of pyrimidine derivative compounds containing unpaired electron pairs, π electrons, functional groups such as N, O and S hardness and softness (S), general electrophilic index (ω), transmitted electron fraction index (ΔN) and recovery (backEbackdonation) properties of quantum chemical calculation methods to investigate the properties of the selected compounds in this direction and adsorbed to the surface with the quantum chemical calculation methods. The aim of this study is to determine the efficiency of synthesized compounds as anticorrosion materials and to provide new gains to the industry in this sense.

show abstract

Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors

Cited by 5 publications

References 14 publications

Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor

Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor

Anticorrosion activity of 2-thiоhуdantoin-Shiff base derivatives for mild steel in 0.5 M HCl

Determination of electronic characteristics of tetrahydro pyrimidine derivatives and investigation of usability as anti-corrosion

Contact Info

Product

Resources

About