The absorption and fluorescence spectra of synthesized 4-[5-(2,5-Dimethyl-pyrrol-1-yl)-[1, 3, 4] thiadiazol-2-ylsulfanylmethyl]-6-methoxy-chromen-2-one (DTYMC) compound were recorded in various solvents like acetone, acetonitrile, chloroform, dimethyl formamide (DMF),1,4-dioxane, ethanol, ethyl acetate, methanol, tetrahydrofuran (THF) and dimethylsulphoxide (DMSO) at room temperature in order to estimate the ground and excited state dipole moment. The ground state dipole moment (μg) and excited state dipole moment (μe) were calculated using solvatochromic shift method which involve equations proposed by Lippert, Bakshiev and Kawski-Chamma-Viallete. The results were signified that the excited state dipole moment is greater than the ground state dipole moment, which indicates the excited state is more polar than the ground state of the molecule. The bond angle between the ground state and excited state dipole moments were found to be 00, The change in dipole moment (∆μ) was calculated using microscopic solvent polarity parameter ([Formula: see text]). Further multiple linear regression analysis of Kamlet-Taft parameter, HOMO-LUMO energy were determined by cyclic voltammetry using phosphate buffer solution.
Keywords: Cyclic voltammetry; DTYMC molecule; HOMO-LUMO calculation; Scan rate; Solvatochromic shift; The Kamlet-Taft multiple linear analyses.