Solvatochromic behavior and electronic structure of some symmetric 2-aminophenol Schiff base derivatives

Abstract

The solvatochromic behavior and electronic structure of four symmetric 2-aininophenol Schiff base derivatives were investigated by using electronic absorption spectra in fourteen different spectroscopic grade solvents. The electronic transitions of these molecules have been interpreted. The electronic transition mechanisms and properties are investigated with four different linear solvation energy relationship (LSER) methods, which use different parameters such as Kamlet-Taft parameter (dielectric function f(epsilon) = (epsilon - 1) / (epsilon + 2), refractive index function f(n) = (n(2) - 1) / (n(2) + 1), hydrogen bond acceptor capacity (beta) and hydrogen bond donor capacity(alpha)), Catalan parameters (polarity/polarizability (SPP), acidity of solvents (SA) and basicity of solvents (SB)), Marcus optical dielectric function and Reichardt-Dimroth E-T solvent parameter. Some electronic parameters, such as E-HOMO, E-LUMO, EHOMO - 1, ELUMO + 1, dipole moment, electron affinity, electronegativity and ionization potential, MEP (molecular electrostatics potential) and SAS (solvent accessibility surface) were calculated by using B3LYP/6-31G(d,p) method