Molecular and Computational Structure Characterizations of E 2 Ethoxy 6 4 fluorophenylimino methyl phenol
Yazarlar (4)
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
M. Odabasoglu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
O. Buyukgungor
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of the Iranian Chemical Society (Q2) | ||
| Dergi ISSN | 1735-207X Dergi Bilgileri (2011) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2011 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-09-2011 |
| Cilt / Sayı / Sayfa | 8 / 3 / 674–686 | DOI | 10.1007/BF03245899 |
| Makale Linki | http://link.springer.com/10.1007/BF03245899 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The (E)-2-ethoxy-6-[(4-fluorophenylimino)methyl]phenol compound was synthesized and characterized by X-ray Diffraction, IR and Electronic spectroscopy. X-Ray and IR results showed that the title compound preferred the enol form in solid state. UV-Vis absorption spectra of the title compound were recorded in different solvents. The results showed that the molecule existed only in enol form even in the solvent media. Electronic structure and spectroscopic properties of the title compound were investigated from calculative point of view. The gas phase geometry optimization was obtained based on X-ray geometry by DFT method with B3LYP applying 6-311G(d,p) basis set. Geometry optimizations in the solvent media were obtained with the same level of theory by the polarizable continuum model (PCM). TD-DFT calculations starting from the optimized geometry were made in both gas and solution phase to … |
| Anahtar Kelimeler |
| DFT | IR and UV-Vis spectroscopy | Schiff base | TD-DFT | X-Ray analysis |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 2 |
| Google Scholar | 3 |