Kaştaş Ç.A.Kaştaş G.Gür M.Muʇlu H.Büyükgüngör O.2023-04-122023-04-122015-07-1313861425https://hdl.handle.net/20.500.12597/5764Abstract 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-d<inf>6</inf> solvent.falseKeto-amine | NMR | Phenol-imine | Schiff base | Tautomerism | X-rayArticle10.1016/j.saa.2015.07.0302-s2.0-84938093704