Vol. 24 No. 2 (2025): Mapana Journal of Sciences
Research Articles

Insight into Indole Derivatives by Experimental and Theoretical Methods

  • Vijayalaxmi Mallayya,
  • Srinath
Vijayalaxmi Mallayya
Gulbarga University Kalaburagi
Srinath
Gulbarga University, Kalaburagi.

Published 2025-08-09

Keywords

  • Electric Dipole moment, HOMO-LUMO, Molecular Electrostatic Potential.

Copyright (c) 2025

Creative Commons License

This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

Abstract

       Solvent effect on fluorescence and absorption spectra of fluorescent Indole derivative viz, 5-chloro-3-phenyl-1H-indole-2-carbohydrazide (CPIC) has been studied in different solvents at room temperature. The shifts in the position, intensities and shapes of the absorption and fluorescence bands have been observed. The ground and excited state dipole moment of the fluorescent molecule have been calculated from the Solvatochromic shift method. The excited-state dipole moments were estimated from Lippert, Bakhshiev and Kawski–Chamma–Viallet equations by using the variation of the Stokes’ shift with the solvent dielectric constant and refractive index. The Reichardt‘s microscopic solvent polarity parameter has been used to calculate change in dipole moment. It was found that the excited-state dipole moments were higher than those of the ground-state dipole moment. The large value of dipole moment in the excited state is due to more polar nature. The HOMO-LUMO energy gap and MEP map estimated theoretically by using B3LYP/6-31+G (d, p) basis set of Gaussian 16 program.

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