Keto enol tautomerism of E 2 3 4 dimethylphenylimino methyl 4 nitrophenol Synthesis X ray FT IR UVeVis NMR and quantumchemical characterizations
Yazarlar (3)
Prof. Dr. Arzu Özek Yıldırım Giresun Üniversitesi, Türkiye
M. Hakkı Yıldırım
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 (2017) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2017 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-01-2017 |
| Cilt / Sayı / Sayfa | 1127 / 1 / 275–282 | DOI | 10.1016/j.molstruc.2016.07.117 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286016308109 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| (E)-2-((3,4-dimethylphenylimino)methyl)-4-nitrophenol, which is a new Schiff base compound, was synthesized and characterized by experimental and computational methods. Molecular geometry, harmonic oscillator model of aromaticity (HOMA) indices, intra- and inter-molecular interactions in the crystal structure were determined by using single crystal X-ray diffraction technique. The optimized structures, which are obtained by Gaussian and Slater type orbitals, were compared to experimental structures to determine how much correlation is found between the experimental and the calculated properties. Intramolecular and hyperconjugative interactions of bonds have been found by Natural Bond Orbital analysis. The experimental infrared spectrum of the compound has been analyzed in detail by the calculated infrared spectra and Potential Energy Distribution analysis. To find out about the correlation between … |
| Anahtar Kelimeler |
| GTO | NLO | Schiff base | STO | Tautomerism | X-ray |
Science Direct
Keto enol tautomerism of E 2 3 4 dimethylphenylimino methyl 4 nitrophenol Synthesis X ray FT IR UVeVis NMR and quantumchemical characterizations
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 20 |
| Scopus | 23 |
| Google Scholar | 26 |