Abstract:This study provides a complete analysis of the electronic and photophysical properties of orotic (OA) and isoorotic (IOA) azo dyes. The ability of the dye to work as an excited state intramolecular proton transfer (ESIPT) was investigated by using Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TD-DFT) methods. The effect of electron-donating substituents (CH3 and NMe2) and an electron-withdrawing one (NO2) was examined. In addition, the effect of the solvent polarity on the ESIPT… Show more
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