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Investigation of 8-hydroxyquinoline by quantum-mechanical modeling and visible absorption spectroscopy

Abstract 8-hydroxyquinoline is a plant natural compound, but it can be also obtained by synthesis, with a wide range of applications. An extensive theoretical investigation of 8-hydroxyquinoline, performed by quantum-mechanical modeling, give important information on the physical properties of this molecule. A solvatochromic study of 8-hydroxyquinoline was also performed, the results of which allowed to estimate the contribution of each type of intermolecular interactions to the total spectral shift of the absorption band. Also, the electric dipole moment in the excited state of this molecule was estimated by the variational method and by Abe’s model.