Evaluation of dipole moments of indole derivative (5-MPIC) by Solvatochromic shift method

Abstract

The Solvatochromic technique was used to examine the solvent effects of ethyl 5-methyl-3 phenyl-1H-indole 2-carboxylate [5-MPIC]. Different solvents were used to record 5-MPIC’s absorption and emission spectra at room temperature (300 K). The ground state and excited state dipole moments were estimated experimentally using Lippert’s, Bakshiev’s and Kawaski Chamma Viallet’s equations. The HOMO-LUMO gap and MEP map were also estimated theoretically by using B3LYP/6-31+G (d, p) basis set of Gaussian 16 w program. Dipole moments of excited states reveal a clear polarity difference between the ground and excited states.