Prediction of fluorescent properties of industrial dyes

Project: Research

Description

Using Time-Dependent Density Functional Theory, we predict the fluorescence wavelengths of industrial dyes, such as coumarins, diazos and naphtalimides. These calculations are performed both in gas-phase and solution. Vibronic and temperature effects are also simulated.
AcronymTournesol-07
StatusFinished
Effective start/end date1/12/0631/12/08

Keywords

  • Fluorescence
  • TD-DFT
  • naphthalimides
  • solvation
  • vibronic coupling
  • coumarins