Electronic Structure and Spectroscopic Properties of AntiHIV Active Aminophenols

We have measured the absorption and fluorescence spectra and fluorescence quantum yields of sulphonecontaining antiHIV active oaminophenol molecules in an inert solvent, hexane, and in a polar solvent, acetonitrile. We have studied IR Fouriertr ansform spectra and examined structural features of o� aminophenols with different substituents in solutions and crystals. Functional groups of molecules that are involved in the formation of hydrogen bonds have been revealed. Proton acceptor properties of oaminophe� nol molecules have been theoretically evaluated using the method of molecular electrostatic potential. Using quantum chemistry methods, we have calculated and interpreted absorption and fluorescence spectra of o� aminophenols. Calculation data are compared with experimental results. We have determined the main chan� nels and mechanisms of photophysical relaxation processes in oaminophenols.