Synthesis and GIAO NMR Calculation 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. Özlem Gürsoy Kol Karadeniz Teknik Üniversitesi, Türkiye
Prof. Dr. İsmail Çakmak Sabancı Üniversitesi, Türkiye
Prof. Dr. Muzaffer ALKAN Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Magn. Reson. Chem., (Q2) | ||
| Dergi ISSN | 0749-1581 Dergi Bilgileri (2005) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2005 |
| Cilt / Sayı / Sayfa | – / 43 / 585–587 | DOI | – |
| Makale Linki | https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/abs/10.1002/mrc.1591?casa_token=AV-cmJX_KaMAAAAA%3APuZohaHyKNiP9mzQFyOvAqvGpkK3avmiZFeQJYtugF2iPoZArB0h6UZ3bkxKbs7CYGzeOKhGz53xrGQ | ||
| UAK Araştırma Alanları |
Fen Bilgisi Eğitimi
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| 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-includingatomic-orbital (GIAO) method at the B3LYP density functional level. The geometry of each compound was optimized using the 6–311G basis set. Copyright© 2005 John Wiley & Sons, Ltd. |
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BM Sürdürülebilir Kalkınma Amaçları
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