Probing the compound E 5 diethylamino 2 4 methylphenylimino methyl phenol mainly from the point of tautomerism in solvent media and the solid state by experimental and computational methods
Yazarlar (4)
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Gökhan Kaştaş Ondokuz Mayis Üniversitesi, Türkiye
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
Rene Frank Universität Leipzig, Almanya
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2011) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2011 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-10-2011 |
| Cilt / Sayı / Sayfa | 81 / 1 / 72–78 | DOI | 10.1016/j.saa.2011.05.046 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S1386142511003994 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| In this study, the molecular structure and spectroscopic properties of (E)-5-(diethylamino)-2-[(4-methylphenylimino)methyl]phenol were characterized experimentally by X-ray diffraction, FT-IR and UV–vis spectroscopic techniques and computationally by DFT method. It is concluded on the basis of X-ray diffraction and FT-IR analyses that the title compound exists in enol form in the solid state. UV–vis spectra of the title compound were recorded in different organic solvents to investigate the dependence of tautomerism on solvent types. The tautomerism-solvent relation was also studied by computational methods to have more insight on structural properties. The geometry optimization of the title compound in gas phase was performed by using DFT (B3LYP) method with 6-311G(d,p) basis set. The geometry optimizations in solvent media were carried out at the same theory level by the polarizable continuum model … |
| Anahtar Kelimeler |
| Computational method | Intramolecular proton transfer | Schiff base | Spectroscopic investigation | Tautomerism |
Science Direct
Probing the compound E 5 diethylamino 2 4 methylphenylimino methyl phenol mainly from the point of tautomerism in solvent media and the solid state by experimental and computational methods
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 32 |
| Scopus | 32 |
| Scopus | 29 |
| Google Scholar | 34 |
| Google Scholar | 35 |