A comparative study on 4-(4-(3-mesityl-3-methylcyclobutyl)thiazole-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one: Experimental anddensity functional methods
Yazarlar (4)
Doç. Dr. Fatih Şen Bozok Üniversitesi, Türkiye
Dr. Öğr. Üyesi Öner EKİCİ Sinop Üniversitesi, Türkiye
Muharrem Dinçer
Ondokuz Mayıs Üniversitesi, Türkiye
Ondokuz Mayıs Üniversitesi, Türkiye
Alaaddin Çukurovali
Fırat Üniversitesi, Türkiye
Fırat Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2015 |
| Cilt / Sayı / Sayfa | 1086 / 1 / 109–117 | DOI | 10.1016/j.molstruc.2014.12.088 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286014013064 | ||
| UAK Araştırma Alanları |
Analitik Kimya
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| Özet |
| In the present study, combined experimental and computational study on molecular structure and spectroscopic assignments of title compound has been reported. The crystal was synthesized and its molecular structure brought to light by X-ray single crystal structure determination method. The spectroscopic properties of the compound were examined by FT-IR and NMR (1H and 13C) techniques. FT-IR spectrum in solid state was observed in the region 4000–400 cm−1. The 1H and 13C NMR spectra were recorded in Acetone-d6 and CDCl3 solvents. The molecular geometry were those obtained from the X-ray structure determination was optimized using Density Functional Theory (DFT/B3LYP) method with the 6-31G(d, p) and 6-31+G(d, p) basis sets in ground state. From the optimized geometry of the molecule, geometric parameters (bond lengths, bond angles and torsion angles), vibrational assignments and … |
| Anahtar Kelimeler |
| Cyclobutane | Density Functional Theory (DFT) | IR and NMR spectroscopies | Thiazole | X-ray structure |
Science Direct
A comparative study on 4-(4-(3-mesityl-3-methylcyclobutyl)thiazole-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one: Experimental anddensity functional methods
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 11 |
| Scopus | 12 |
| Google Scholar | 13 |