Probing the compound (E)-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol 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
Gökhan Kata
Ondokuz Mayis Üniversitesi, Türkiye
Mustafa Odabaolu
Pamukkale Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Bildiri Türü Tebliğ/Bildiri Bildiri Dili Türkçe
Bildiri Alt Türü
Bildiri Niteliği Alanında Hakemli Ulusal Kongre/Sempozyum
DOI Numarası 10.1016/j.molstruc.2011.06.018
Kongre Adı 3. Ulusal Kristallografi Toplantısı
Kongre Tarihi 07-06-2012 / 09-06-2012
Basıldığı Ülke Türkiye Basıldığı Şehir
Bildiri Linki https://linkinghub.elsevier.com/retrieve/pii/S0022286011004911
UAK Araştırma Alanları
Organik Kimya
Özet
In this study, (E)-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol compound was investigated by mainly focusing on stacking interactions assembling the supramolecular network of the compound and on tautomerism in solvent media and in the solid state. In doing so, the molecular structure and spectroscopic properties of (E)-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol were experimentally characterized by X-ray diffraction, FT-IR, NMR and UV/Vis spectroscopic techniques and computationally by DFT method. The X-ray diffraction and FT-IR analyses of the title compound reveal the existence of enol form in the solid state. The non-covalent CH⋯π and inter-molecular hydrogen bonding interactions assemble the supramolecular structure of the title compound by forming 4-connected (4,4)-net in Wells nomenclature. The dependence of tautomerism on solvent types was studied on the basis of UV/Vis spectra …
Anahtar Kelimeler
DFT | Inter-molecular hydrogen bond | Intra-molecular hydrogen bond | Schiff base | Tautomerism | TD-DFT