Synthesis structural characterization and computational studies of E 4 bromo 2 3 chlorophenylimino methyl 6 ethoxyphenol
Yazarlar (3)
Prof. Dr. Arzu Özek Yildirim Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Murat Gülsu
Giresun 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 (2016)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 01-2016
Kabul Tarihi Yayınlanma Tarihi 01-01-2016
Cilt / Sayı / Sayfa 1103 / 1 / 311–318 DOI 10.1016/j.molstruc.2015.09.029
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S0022286015302921
UAK Araştırma Alanları
Organik Kimya
Özet
The present work reports on synthesis, single crystal X-ray diffraction, FT-IR, Uv–Vis., 1H and 13C NMR and theoretical calculations of the (E)-4-bromo-2-((3-chlorophenylimino)methyl)-6-ethoxyphenol compound. This study mainly focused on prototropic tautomerism and intramolecular proton transfer of (E)-4-bromo-2-((3-chlorophenylimino)methyl)-6-ethoxyphenol in solvent media and in solid state. X-ray and FT-IR studies clearly reveals that the title compound exist in the enol form in solid state. Due to the dependence of prototropic tautomerism on solvent types, UV–Vis. spectra of the title compound were recorded in benzene, in chloroform and in ethanol. With the aid of theoretical calculations, important bands in the electronic spectrum were defined by means of frontier molecular orbitals. Intramolecular proton transfer process on the O–H…N hydrogen bond and transition state structure during the transfer …
Anahtar Kelimeler
DFT | FT-IR | Prototropic tautomerism | Schiff base | X-ray
Science Direct
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 6
Scopus 6
Google Scholar 8
Synthesis structural characterization and computational studies of E 4 bromo 2 3 chlorophenylimino methyl 6 ethoxyphenol

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