Studies on the synthesis spectroscopic analysis and DFT calculations on E 4 6 dichloro 2 2 chlorophenylimino methyl 3 methoxyphenol as a novel Schiff s base
Yazarlar (3)
Prof. Dr. Arzu Özek Yildirim Giresun Üniversitesi, Türkiye
M. Hakki Yildirim
Giresun Üniversitesi, Türkiye
Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop 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 (2016) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2016 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-06-2016 |
| Cilt / Sayı / Sayfa | 1113 / 1 / 1–8 | DOI | 10.1016/j.molstruc.2016.02.041 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S002228601630134X | ||
| UAK Araştırma Alanları |
Organik Kimya
|
||
| Özet |
| In this study, we report synthesis, single crystal X-ray diffraction, FT-IR and Uv–Vis. characterizations and computational investigations of the (E)-4,6-dichloro-2-[(2-chlorophenylimino)methyl]-3-methoxyphenol. The tautomeric equilibrium between enol, keto and transition state (TS) forms of (E)-4,6-dichloro-2-[(2-chlorophenylimino)methyl]-3-methoxyphenol have been investigated by considering the presence of the compound in vacuum and various solvents. Experimental studies clearly reveal that the title compound has enol form in solid state and ethanol solution. In addition, the enol, keto and TS structures of the compound have been investigated computationally. Intramolecular proton transfer process on the O–H⋯N hydrogen bond and transition state structure during the transfer process have been studied by scan calculations for vacuum and solvent media. Moreover, the stabilization energies of the title … |
| Anahtar Kelimeler |
| DFT | FT-IR | Prototropic tautomerism | Schiff base | X-ray |
Science Direct
Studies on the synthesis spectroscopic analysis and DFT calculations on E 4 6 dichloro 2 2 chlorophenylimino methyl 3 methoxyphenol as a novel Schiff s base
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 16 |
| Scopus | 17 |
| Google Scholar | 63 |