Araştırma Makalesi
BibTex RIS Kaynak Göster
Yıl 2022, Cilt: 5 Sayı: 1, 111 - 120, 09.07.2022
https://doi.org/10.54565/jphcfum.1121687

Öz

Kaynakça

  • 1. R.A. OMER, et al., Computational and spectroscopy study of melatonin. Indian Journal of Chemistry-Section B (IJC-B), 2021. 60(5): p. 732-741.
  • 2. O. Rebaz, et al., Theoretical Determination of Corrosion Inhibitor Activities of Naphthalene and Tetralin. Gazi University Journal of Science: p. 1-1.
  • 3. R.A. Omer, et al., Theoretical analysis of the reactivity of chloroquine and hydroxychloroquine. Indian Journal of Chemistry-Section A (IJCA), 2020. 59(12): p. 1828-1834.

Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring

Yıl 2022, Cilt: 5 Sayı: 1, 111 - 120, 09.07.2022
https://doi.org/10.54565/jphcfum.1121687

Öz

This study was synthesized: 1-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)-3-phenylthiourea and 1-(4-chlorophenyl)-3-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)thiourea. Fourier-Transform Infrared (FT-IR) spectroscopy and Nuclear Magnetic Resonance (NMR) were used to characterize the molecular formula. Theoretical vibration was computed with Gaussian 09W software, and corrosion inhibiting activity was computed with quantum chemical calculations. Furthermore, the GaussView 5.0 package was used on the B3LYP/6-311G(d,p) method to calculate the energy of the highest occupied molecular orbital (EHOMO), the energy of the lower occupied molecular orbital, energy gap (ΔE = ELUMO - EHOMO), the dipole moment (µ), and the percent of transmitted electrons (ΔN). Other molecular properties such as hardness (ɳ), softness (σ), and electronegativity (χ) were calculated based on the results of inhibitor activity. The corrosion inhibiting activities of the derivatives were predicted using quantum chemical calculations. As a result, the corrosion inhibitor behavior can be predicted without the need for an experimental study. The results show a strong relationship between organic-based corrosion inhibitors and the process's quantum chemical parameters.

Kaynakça

  • 1. R.A. OMER, et al., Computational and spectroscopy study of melatonin. Indian Journal of Chemistry-Section B (IJC-B), 2021. 60(5): p. 732-741.
  • 2. O. Rebaz, et al., Theoretical Determination of Corrosion Inhibitor Activities of Naphthalene and Tetralin. Gazi University Journal of Science: p. 1-1.
  • 3. R.A. Omer, et al., Theoretical analysis of the reactivity of chloroquine and hydroxychloroquine. Indian Journal of Chemistry-Section A (IJCA), 2020. 59(12): p. 1828-1834.
Toplam 3 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Kimya Mühendisliği
Bölüm Makaleler
Yazarlar

Arzu Etkeser Aktaş 0000-0003-0388-5038

Rebaz Omer 0000-0002-3774-6071

Metin Koparır 0000-0003-1031-783X

Yayımlanma Tarihi 9 Temmuz 2022
Gönderilme Tarihi 26 Mayıs 2022
Kabul Tarihi 8 Haziran 2022
Yayımlandığı Sayı Yıl 2022 Cilt: 5 Sayı: 1

Kaynak Göster

APA Etkeser Aktaş, A., Omer, R., & Koparır, M. (2022). Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring. Journal of Physical Chemistry and Functional Materials, 5(1), 111-120. https://doi.org/10.54565/jphcfum.1121687
AMA Etkeser Aktaş A, Omer R, Koparır M. Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring. Journal of Physical Chemistry and Functional Materials. Temmuz 2022;5(1):111-120. doi:10.54565/jphcfum.1121687
Chicago Etkeser Aktaş, Arzu, Rebaz Omer, ve Metin Koparır. “Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring”. Journal of Physical Chemistry and Functional Materials 5, sy. 1 (Temmuz 2022): 111-20. https://doi.org/10.54565/jphcfum.1121687.
EndNote Etkeser Aktaş A, Omer R, Koparır M (01 Temmuz 2022) Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring. Journal of Physical Chemistry and Functional Materials 5 1 111–120.
IEEE A. Etkeser Aktaş, R. Omer, ve M. Koparır, “Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring”, Journal of Physical Chemistry and Functional Materials, c. 5, sy. 1, ss. 111–120, 2022, doi: 10.54565/jphcfum.1121687.
ISNAD Etkeser Aktaş, Arzu vd. “Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring”. Journal of Physical Chemistry and Functional Materials 5/1 (Temmuz 2022), 111-120. https://doi.org/10.54565/jphcfum.1121687.
JAMA Etkeser Aktaş A, Omer R, Koparır M. Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring. Journal of Physical Chemistry and Functional Materials. 2022;5:111–120.
MLA Etkeser Aktaş, Arzu vd. “Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring”. Journal of Physical Chemistry and Functional Materials, c. 5, sy. 1, 2022, ss. 111-20, doi:10.54565/jphcfum.1121687.
Vancouver Etkeser Aktaş A, Omer R, Koparır M. Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring. Journal of Physical Chemistry and Functional Materials. 2022;5(1):111-20.