Time-dependent density functional theory calculations of the solvatochromism of some azo sulfonamide fluorochromes

@inproceedings{Krawczyk2015TimedependentDF,
  title={Time-dependent density functional theory calculations of the solvatochromism of some azo sulfonamide fluorochromes},
  author={Przemysław Krawczyk},
  booktitle={Journal of molecular modeling},
  year={2015}
}
The absorption and emission spectra of three azo sulfonamide compounds in different solvents were investigated theoretically by using response functions combined with density functional theory (DFT), while the solvent effect on the structure and the electronic transitions was determined using the integral equation formalism for the polarizable continuum model (IEF-PCM). The results show that the applied different exchange-correlation functionals can reproduce the experimental values well. DFT… CONTINUE READING
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References

Publications referenced by this paper.
Showing 1-10 of 79 references

Dynamic correlation

  • AJ Cohen, NC Handy
  • Mol Phys 99:
  • 2001
Highly Influential
3 Excerpts

Generalized gradient approximation to the angle- and system-averaged exchange hole

  • M Ernzerhof, JP Perdew
  • J Chem Phys 109:3313–3320
  • 1998
Highly Influential
3 Excerpts

Design and development of fluorescent nanostructuresfor bioimaging

  • M Chen, M Yin
  • Prog Polym Sci 39:365–395
  • 2014
1 Excerpt

Synthesis and photophysical properties of two-photon chromophores containing 1H-benzimidazole residue

  • B Jędrzejewska, P Krawczyk, M Gordel, M Samoć
  • Dyes Pigments
  • 2014
2 Excerpts

Styryl dye possessing donor-πacceptor structure - Synthesis, spectroscopic and computational studies

  • B Jędrzejewska, P Krawczyk, +4 authors P Cysewski
  • Dyes Pigments
  • 2013
2 Excerpts

Fluorophorephotochrome co-embedded polymer nanoparticles for photoswitchable fluorescence bioimaging

  • T Yang, Q Liu, S Pu, Z Dong, C Huang, F Li
  • Nano Res 5:494–503
  • 2012

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