Some Aspects of 8-hydroxyquinoline in Solvents

The study of a UV-VIS spectrum of 8-hydroxyquinoline (8HQ) in different solvents can provide relevant information concerning the influence of the medium on the electronic structure of the solute or the nature and strength of the specific solvent-solute intraor intermolecular interactions. The electronic absorption spectra of 8-hydroxyquinoline in various solvents have very different features due to dimeric or monomeric form in a particular environment. Thus, we have performed a quantum chemical semi-empirical PM3 calculations optimization of 8HQ and corresponding tautomer as single and dimeric form in free space and surrounded by the first solvation sphere. The dipole moment, polarizability and other physical parameters of these molecular systems were calculated. These results are useful tools in predicting optical properties of new materials which include hydroxyquinoline and explain the change in UV-VIS spectrum of 8HQ in different solvents.