Fluorescence properties of aromatic asymmetric di-ketone compound in polar and non-polar solvents

Abstract

Using the quantum chemical and solvatochromic shift technique aromatic unsymmetric di-ketone compound1-(4’-dodecyl-[1,1’-biphenyl]-4-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione (DK1) fluorescence properties were estimated. The excitation and emission band of recently synthesized DK1 have been examined in various dissolvable. The dipole moments evaluated utilizing Gaussian software and Solvatochromic correlations. Evaluated (μg ) value by Gaussian method is comparatively larger than the solvatochromic shift methods. It is seen that the energized state dipole moments (μe ) are more prominent than the ground state dipole moment (μg ) which authorizes π → π* transition. The (∆μ) were also estimated both from solvatochromic shift method and microscopic solvent polarity parameter (ET N ) and results are compared. The kinetic stability and chemical reactivity of the selected molecules have been studied with the help of quantum chemical properties of the molecule and Frontier molecular orbital analysis using DFT.