New 1,3,4-thiadiazol derivatives: Synthesis, computational study and X-Ray
Yazarlar (6)
Dilek Ünlüer
Karadeniz Technical University, Türkiye
Karadeniz Technical University, Türkiye
Esra Düğdü
Karadeniz Technical University, Türkiye
Karadeniz Technical University, Türkiye
Doç. Dr. Mustafa Emirik Recep Tayyip Erdoğan Üniversitesi, Türkiye
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Prof. Dr. Yasemin Ünver Karadeniz Teknik Üniversitesi, Türkiye
Prof. Dr. Kemal Sancak Karadeniz Teknik 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 (2020) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2020 |
| Cilt / Sayı / Sayfa | 1207 / 1 / 127733–0 | DOI | 10.1016/j.molstruc.2020.127733 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286020300570 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| In this study, 4-hydroxyphenyl-3H-1,2,4-triazol-3-one derivatives (1a-d), cyanomethoxyphenyl-3-alkyl/aryl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-acetonitriles (2a-d) and bis amino-1,3,4-thiadiazol-5-alkyl/aryl-2,4-dihydro-3H-1,2,4-triazol-3-one (3a-d) were synthesized. The new compounds were characterized by elemental analyses, IR, 1H NMR, 13C NMR and mass spectral studies. The molecular structure of compound 2c was determined by X-ray diffraction. Vibrational data, 1H NMR and 13C NMR chemical shifts of compound 3 b were obtained by DFT/B3LYP/6–311++G(d,p) method and theoretical spectral data were compared with the experimental ones. Furthermore, Gauswiev 5.0 was used to visualize the results of the computation MEP surface for compound 3 b. |
| Anahtar Kelimeler |
| 1,3,4-Thiadiazole | DFT study | IR and NMR | X-ray |
Science Direct
New 1,3,4-thiadiazol derivatives: Synthesis, computational study and X-Ray
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 3 |
| Google Scholar | 2 |