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SYNTHESIS OF NEW IMINE COMPOUNDS BEARING INDOLE AND 1, 3, 4-THIADIAZOLE MOIETIES: SPECTRAL PROPERTIES, DFT STUDIES, TAUTOMERISM AND BOND ANALYSIS  
Yazarlar
S Özkınalı
MS Çavuş
T Tosun
N Şener
M Gür
İ Şener
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 strength ...
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Journal of Molecular Structure
Dergi Tarandığı Indeksler
Dergi Grubu Q2
Makale Dili İngilizce
Basım Tarihi 11-2024
Sayfalar 140901 / 0
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları

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