Survey of conformational isomerism in E 2 4 bromophenylimino methyl 5 diethylamino phenol compound from structural and thermochemical points of view
 
Yazarlar (4)
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Gökhan Kaştaş Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Prof. Dr. Mustafa Odabaşoglu Pamukkale Üniversitesi, Türkiye
René 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 (2012)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2012
Kabul Tarihi Yayınlanma Tarihi 01-09-2012
Cilt / Sayı / Sayfa 95 / 1 / 664–669 DOI 10.1016/j.saa.2012.04.074
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S138614251200426X
UAK Araştırma Alanları
Organik Kimya
Özet
In this study, (E)-2-[(4-bromophenylimino)methyl]-5-(diethylamino)phenol compound was investigated by mainly focusing on conformational isomerism. For this purpose, molecular structure and spectroscopic properties of the compound were experimentally characterized by X-ray diffraction, FT-IR and UV–Vis spectroscopic techniques, and computationally by DFT method. The X-ray diffraction analysis of the compound shows the formation of two conformers (anti and eclipsed) related to the ethyl groups of the compound. The two conformers are connected to each other by non-covalent C–H⋯Br and C–H⋯π interactions. The combination of these interactions is resulted in fused R22(10) and R24(20) synthons which are responsible for the tape structure of crystal packing arrangement. The X-ray diffraction and FT-IR analyses also reveal the existence of enol form in the solid state. From thermochemical point of view …
Anahtar Kelimeler
Conformational analysis | DFT | Intramolecular hydrogen bond | IR and UV-Vis spectroscopies | Isomerism | Schiff base