Kastas, Cigdem AlbayrakKastas, GokhanGur, MahmutMuglu, HalitBuyukgungor, Orhan2025-03-232025-03-2320151386-14251873-3557https://doi.org/10.1016/j.saa.2015.07.030https://hdl.handle.net/11486/6057In 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(6) solvent. (C) 2015 Elsevier B.V. All rights reserved.eninfo:eu-repo/semantics/closedAccessSchiff baseTautomerismPhenol-imineKeto-amineX-rayNMRArticle15173173810.1016/j.saa.2015.07.030261724602-s2.0-84938093704Q1WOS:000361861300092Q1