Solvatochromic and Computational Study of Ground State and Excited State Dipole Moments of Coumarin Dyes in Polar and Non-polar solvent Environments

  • Unique Paper ID: 208426
  • Volume: 13
  • Issue: 4
  • PageNo: 1817-1823
  • Abstract:
  • The solvent effect on the photophysical properties of two coumarin derivatives 4-Hydroxy-3-nitrocoumarin (C1) and 3-(Bromoacetyl)coumarin (C2) is examined using UV-VIS and fluorescence spectroscopic procedure in polar and non-polar solvent environments. Lippert, Bakhshiev and Kawaski-Chamma-Viallet correlations were evoked for the calculation of their excited state dipole moments as well as change in the dipole moment. Meanwhile Reichardt’s microscopic solvent polarity parameter E_T^N is also used for the same. The ground state dipole moment is evaluated using Gaussian 16 program and geometry optimization using DFT method at 6–311++G (d, p)/B3LYP. The excited state dipole moments of both the compounds calculated from different equations are found to be higher than that of ground state indicating the intramolecular charge transfer (ICT) and twisted intramolecular charge transfer (TICT) in their emitting singlet states

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

BibTeX

@article{208426,
        author = {Geethanjali H S and Nagasree G and Nagaraja D},
        title = {Solvatochromic and Computational Study of Ground State and Excited State Dipole Moments of Coumarin Dyes in Polar and Non-polar solvent Environments},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {13},
        number = {4},
        pages = {1817-1823},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=208426},
        abstract = {The solvent effect on the photophysical properties of two coumarin derivatives 4-Hydroxy-3-nitrocoumarin (C1) and 3-(Bromoacetyl)coumarin (C2) is examined using UV-VIS and fluorescence spectroscopic procedure in polar and non-polar solvent environments. Lippert, Bakhshiev and Kawaski-Chamma-Viallet correlations were evoked for the calculation of their excited state dipole moments as well as change in the dipole moment. Meanwhile Reichardt’s microscopic solvent polarity parameter E_T^N  is also used for the same. The ground state dipole moment is evaluated using Gaussian 16 program and geometry optimization using DFT method at 6–311++G (d, p)/B3LYP. The excited state dipole moments of both the compounds calculated from different equations are found to be higher than that of ground state indicating the intramolecular charge transfer (ICT) and twisted intramolecular charge transfer (TICT) in their emitting singlet states},
        keywords = {Coumarin derivatives, Solvatochromism, dipole moments and Gaussian studies},
        month = {September},
        }

Cite This Article

S, G. H., & G, N., & D, N. (2026). Solvatochromic and Computational Study of Ground State and Excited State Dipole Moments of Coumarin Dyes in Polar and Non-polar solvent Environments. International Journal of Innovative Research in Technology (IJIRT), 13(4), 1817–1823.

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