Synthesis and GIAO NMR calculations for some new 4 5 dihydro 1H 1 2 4 triazol 5 one derivatives comparison of theoretical and experimental 1H and 13C chemical shifts
Yazarlar (4)
Prof. Dr. Haydar YÜKSEK Kafkas Üniversitesi, Türkiye
Prof. Dr. İsmail ÇAKMAK Kafkas Üniversitesi, Türkiye
Prof. Dr. Muzaffer ALKAN Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | MAGNETIC RESONANCE IN CHEMISTRY | ||
| Dergi ISSN | 0749-1581 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2005 |
| Cilt / Sayı / Sayfa | 43 / 7 / 585–587 | DOI | 10.1002/mrc.1591 |
| Özet |
| Four novel 3-alkyl(aryl)-4-(4-methoxycarbonylbenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones (2) were synthesized by the reactions of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1) with methyl 4-formylbenzoate and characterized by elemental analyses and IR, 1H NMR, 13C NMR and UV spectral data. In addition, isotropic 1H and 13C nuclear magnetic shielding constants of 2 were obtained by the gauge-including-atomic-orbital (GIAO) method at the B3LYP density functional level. The geometry of each compound was optimized using the 6-311G basis set. |
| Anahtar Kelimeler |
| NMR | H-1 NMR | C-13 NMR | GIAO | chemical shifts | 4,5-dihydro-1H-1,2,4-triazol-5-ones | Schiff base |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 11 |