Theoretical and spectroscopic (FT-IR, NMR and UV–Vis.) characterizations of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule
Yazarlar (4)
Doç. Dr. Onur AKYILDIRIM Kafkas Üniversitesi, Türkiye
Halil Gökce Giresun Üniversitesi, Türkiye
Semiha Bahçeli
Süleyman Demirel Üniversitesi, Türkiye
Süleyman Demirel Üniversitesi, Türkiye
Prof. Dr. Haydar YÜKSEK Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2017 |
| Cilt / Sayı / Sayfa | 1127 / 1 / 114–123 | DOI | 10.1016/j.molstruc.2016.07.092 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286016307761 | ||
| Özet |
| Fourier transform infrared (FT-IR) spectroscopy in the region 400–4000 cm−1, proton and carbon-13 NMR chemical shifts and UV–Vis. absorption wavelengths of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule have been experimentally investigated. For monomeric and dimeric forms of the title molecule, the optimized molecular structure analyses, vibrational wavenumbers, 13C and 1H NMR chemical shifts and electronic absorption wavelengths of the title molecule have been performed at DFT/B3LYP method with 6-311G(d,p) basis set. The HOMO and LUMO analyses have been theoretically done by using the mentioned calculation level. The obtained experimental values have been compared with calculated data. The computed vibrational frequencies, NMR chemical shifts and UV–Vis. wavelengths have been found to be in a good agreement with experimental … |
| Anahtar Kelimeler |
| 4,5-Dihydro-1H-1,2,4-triazol-5-one derivatives | DFT/B3LYP method | FT-IR spectroscopy | Proton and carbon-13 NMR chemical shifts | UV–Vis. spectroscopy |
Science Direct
Theoretical and spectroscopic (FT-IR, NMR and UV–Vis.) characterizations of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule
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| Atıf Sayıları | |
| Google Scholar | 25 |
| Web of Science | 20 |
| Scopus | 23 |