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Study of Photophysical Properties of Coumarin 4-(4-Methoxy-Phenoxymethyl)-5,7-Dimethyl-Chromen-2-one (C19H18O4) and Estimation of Ground-State and Excited-State Dipole Moments

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Author Affiliations

  • 1Government First Grade College, Sandur- 583119, Karnataka, India
  • 2Department of PG Studies and Research in Physics, Gulbarga University, Kalaburagi-585 106, Karnataka, India

Res. J. Recent Sci., Volume 15, Issue (3), Pages 110-114, July,2 (2026)

Abstract

The photophysical properties of coumarin-4-(4-Methoxy-Phenoxymethyl)-5,7-dimethyl-chromen-2-one (C19H18O4) (4MPDC) at room temperature are investigated in pure polar and nonpolar solvents using Gaussian 16W software with the B3LYP/6-31 basis set. The influence of pure solvents on spectral characteristics is investigated by applying theories such as the Lippert-Mataga polarity function, Reichardt's microscopic solvent polarity parameter, and Kamlet and Catalan's multiple linear regression techniques. The main role of solute-solvent interactions in pure solvents depend on particularly dielectric interaction and hydrogen bonding. Hydrogen bonding interactions dominate the contribution of dielectric interactions. The electric dipole moments of both the ground state and excited states have been estimated using the Solvatochromic method. The value of the electric dipole moment of the excited state and the red shifts of emission spectra show that the emitting singlet state has an intramolecular charge transfer (ICT) character. The DFT data showed that λ_max resulted from the support of the highest occupied molecular orbital to the lowest unoccupied molecular orbital transition. We conclude that polar solvents change the fluorescent properties of coumarin.

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