Albayrak, CigdemKastas, GokhanOdabasoglu, MustafaFrank, Rene2025-03-232025-03-2320131386-14251873-3557https://doi.org/10.1016/j.saa.2013.05.044https://hdl.handle.net/11486/6070The prototropic tautomerism in o-Hydroxy Schiff bases results in two forms called phenol-imine and keto-amine. The preference of a particular form by the compound changes in the solid and solvent media. The choice can also be regulated by a substituent with a different electron-donating or withdrawing group. In the present study, the above-mentioned factors are considered in the investigation of (E)-5-(diethylamino)-2-[(3-nitrophenylimino)methyl]phenol compound (an o-Hydroxy Schiff basis) by experimental (XRD, FT-IR and UV-vis) and computational (DFT and TD-DFT) methods. The results show that the title compound adopts only phenol-imine form in the solid and solvent media. This was attributed to the substituent effect through strong electron-withdrawing nitro group. (C) 2013 Elsevier B.V. All rights reserved.eninfo:eu-repo/semantics/closedAccessSchiff baseDFTComputational studyIntramolecular proton transferFT-IRUV-visArticle11420521310.1016/j.saa.2013.05.044237705102-s2.0-84885986748Q1WOS:000323396800030Q1