| Yazarlar (7) |
Doç. Dr. Gül KOTAN
Kafkas Üniversitesi, Türkiye |
Halil Gökce
Giresun Üniversitesi, Türkiye |
Doç. Dr. Onur AKYILDIRIM
Kafkas Üniversitesi, Türkiye |
Doç. Dr. Murat BEYTUR
Kafkas Üniversitesi, Türkiye |
Prof. Dr. Haydar YÜKSEK
Kafkas Üniversitesi, Türkiye |
Doç. Dr. Sevda MANAP
Kafkas Üniversitesi, Türkiye |
Doç. Dr. Hilal MEDETALİBEYOĞLU
Kafkas Üniversitesi, Türkiye |
| Özet |
| Abstract: 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]phenyl naphthalene-2-sulfonate was obtained as a result of the reactions of 5-amino-2-sulfanylbenzimidazole with 2-(2-naphthylsulfonyloxy)benzaldehyde. The newly synthesized compound was characterized using IR, 1H and 13C NMR spectroscopy. Theoretical investigations of the thione–thiol tautomerism of the molecule were performed using DFT/ B3LYP calculations with the 6-311++G(d,p) basis set. The NMR chemical shifts were calculated by the gauge-invariant atomic orbital (GIAO) method and compared with the experimental data. Additionally, the frontier molecular orbital (HOMO-LUMO), MEP, and NLO analyses were performed for the optimized structure. The NLO analysis showed that the thiol form of the molecule is more stable than the thione form and is a good non-linear optical compound. |
| Anahtar Kelimeler |
| GIAO | HOMO | imines derivative | LUMO | MEP | NLO |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Russian Journal of Organic Chemistry |
| Dergi ISSN | 1070-4280 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 11-2020 |
| Cilt No | 56 |
| Sayı | 11 |
| Sayfalar | 1982 / 1994 |
| Doi Numarası | 10.1134/S1070428020110135 |
| Makale Linki | https://link.springer.com/article/10.1134/S1070428020110135 |
| Atıf Sayıları | |
| SCOPUS | 21 |
| Google Scholar | 29 |
