Two new cyclobutane derivatives of thiazolidin-4-ones: Synthesis, spectroscopic characterization, DFT quantum chemical calculations and determination of protonation constants
Yazarlar (2)
Dr. Öğr. Üyesi Öner EKİCİ Sinop Üniversitesi, Türkiye
Alaaddin Çukurovali
Firat Üniversitesi, Türkiye
Firat Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2024) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 10-2024 |
| Cilt / Sayı / Sayfa | 1322 / 1 / 140346–0 | DOI | 10.1016/j.molstruc.2024.140346 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2024.140346 | ||
| UAK Araştırma Alanları |
Analitik Kimya
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| Özet |
| In the first stage of this study, 2-((4-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)imino)thiazolidin-4-one (compound 1) and 2-((4-(3-(2,5-dimethylphenyl)-3-methylcyclobutyl)thiazol-2-yl)imino)thiazolidin-4-one (compound 2) were synthesized, characterized using FT-IR and NMR methods, and a combination of experimental and theoretical studies of the title compounds was performed. With the aid of the 6–311+G(d,p) basis set, all theoretical computations were performed using the density functional theory (DFT) B3LYP approach. The GIAO approximation was used to compute the chemical shifts of 1H and 13C NMR. Theoretical calculations provide detailed information on chemical activity and molecular properties by determining electrophilic and nucleophilic properties. Accordingly, global chemical activity descriptors (FMOs, hardness, and softness parameters) were investigated, natural bond orbital (NBO … |
| Anahtar Kelimeler |
| Cyclobutane | Density functional theory (DFT) | Protonation constants | Thiazole | Thiazolidinone |
Science Direct
Two new cyclobutane derivatives of thiazolidin-4-ones: Synthesis, spectroscopic characterization, DFT quantum chemical calculations and determination of protonation constants
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 3 |
| Google Scholar | 5 |