Mahmut Gür

Analysis of tautomeric equilibrium in (E)-4,6-dibromo-2-[(4-fluorophenylimino)methyl]-3-methoxyphenol compound.

In this study, the tautomeric equilibrium between the phenol-imine and keto-amine structural forms of (E)-4,6-dibromo-2-[(4-fluorophenylimino)methyl]-3-methoxyphenol compound has been investigated with experimental (XRD, UV-vis and NMR) and theoretical (DFT and TD-DFT) methods. The results clearly show that structural preference of the compound is definitely depended on its state. Namely, the compound exists in phenol-imine form in the solid state while one or both of these forms can be seen in solvent media. For example, the compound prefers phenol-imine form in benzene while both forms exist in EtOH and DMSO solvents. Coexistence of two forms has been quantified with NMR studies, giving a ratio of 11:9 for phenol and keto structures of the compound in acetone-d6 solvent.

Yeni 4-fenilbütirik asit türevi 1,3,4-tiyadiazol bileşikleri: Sentezi, karakterizasyonu ve DFT çalışmaları

Bu calismada; literaturde daha once sentezlenmemis 1,3,4-tiyadiazol bilesikleri sentezlendi. Sentezlenen bu bilesiklerin FT-IR, 1 H-NMR, 13 C-NMR spektroskopik yontemleri ve elementel analiz kullanilarak yapi tayini gerceklestirildi. Daha sonra UV-vis. spektrofotometre cihazi kullanilarak elde edilen bilesiklerin absorpsiyon ozellikleri de incelendi. Ayrica, yogunluk fonksiyonel teorisi (DFT) kullanilarak, sentezlenen 1,3,4-tiyadiazol bilesiklerinin molekuler konformasyonu, elektronik konfigurasyonu ve UV-vis analizleri teorik olarak yapilmis, F, Cl ve metoksi izomerlerinin molekuler konfigurasyonu nasil etkiledigi analiz edildi.

(E)-4-(4-Ethyl­phenyl­diazen­yl)-2,6-dimethylphenyl acrylate

The title compound, C19H20N2O2, has a trans configuration with respect to the diazene double bond. The dihedral angle between the planes of the two aromatic rings is 2.92 (3)°.