Synthesis of new imine compounds bearing indole and 1,3,4-thiadiazole moieties: Spectral properties, DFT studies, tautomerism and bond analysis
Yazarlar (6)
S. Özkınalı
Hitit University, Türkiye
Hitit University, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
T. Tosun
Hitit University, Türkiye
Hitit University, Türkiye
Prof. Dr. Nesrin ŞENER Kastamonu Üniversitesi, Türkiye
Prof. Dr. Mahmut GÜR Kastamonu Üniversitesi, Türkiye
Prof. Dr. İzzet ŞENER Kastamonu 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 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2025 |
| Cilt / Sayı / Sayfa | 1325 / 1 / – | DOI | 10.1016/j.molstruc.2024.140901 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.140901 | ||
| UAK Araştırma Alanları |
Organik Kimya
Spektroskopi
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| Özet |
| This study presents the synthesis of two series of indole derivatives linked with thiadiazole rings, derived from 5-styryl-1,3,4-thiadiazol-2-amine in combination with indole-3-carboxaldehyde and indole-5-carboxaldehyde. The chemical structures of the synthesized compounds were characterized using various spectroscopic techniques, including UV–VIS, FT-IR, 1H-NMR, 13C-NMR, and mass spectrometry. The experimental data obtained from FT-IR and UV–Vis analyses were compared with theoretical results calculated at the B3LYP/6–311++G(2d,2p) level of density functional theory (DFT). The effect of the spatial position of the substituents on the electronic and spectral properties of the compounds was systematically investigated. Additionally, QTAIM and IRI analyses was conducted to elucidate the effects of intramolecular interactions on the σ and π bond characteristics. The impact of substituents on bond … |
| Anahtar Kelimeler |
| BOs | DFT | Indole | Schiff bases | Tautomerism | Thiadiazole |
Science Direct
Synthesis of new imine compounds bearing indole and 1,3,4-thiadiazole moieties: Spectral properties, DFT studies, tautomerism and bond analysis
| Atıf Sayıları | |
| Scopus | 3 |
| Google Scholar | 3 |