Synthesis spectroscopic molecular and computational structure characterizations of E 2 ethoxy 6 phenylimino methyl phenol
Yazarlar (5)
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
Arş. Gör. Serkan Demir Ondokuz Mayis Üniversitesi, Türkiye
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis 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 (2010) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2010 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-01-2010 |
| Cilt / Sayı / Sayfa | 963 / 2 / 211–218 | DOI | 10.1016/j.molstruc.2009.10.037 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286009006747 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The structure of (E)-2-ethoxy-6-[(phenylimino)methyl]phenol was characterized by X-ray diffraction, IR and electronic spectroscopy. The title compound prefers enol form in solid state as to X-ray and IR results. UV–Vis spectra of the title compound were recorded in various solvents. The results show that the molecule exists only enol form even in solvent media. Electronic structure and spectroscopic properties of title compound were investigated from calculative point of view. DFT/B3LYP optimization was performed based on X-ray Geometry applying 6–311G(d,p) basis set. TD-DFT calculations starting from optimized geometry were carried out in both gas and solution phase to calculate excitation energies of enol and keto tautomers. Vibrational frequency analysis was performed at the optimized geometry with the same level of theory. |
| Anahtar Kelimeler |
| Computational study | IR and UV-Vis spectroscopy | Molecule orbitals | Schiff Base | Tautomerism | X-ray analysis |
Science Direct
Synthesis spectroscopic molecular and computational structure characterizations of E 2 ethoxy 6 phenylimino methyl phenol
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 45 |
| Scopus | 43 |
| Google Scholar | 47 |