Fluorophore design 0600-S2-O-PF

Lecture: Jablonski diagram, selection rules for the UV-Vis spectroscopy, Kasha’s rule, Franck-Condon principle, application of the phenomena such as absorption, fluorescence, phosphorescence, Stokes shift, photon upconverstion, nonlinear optical properties; rules for the color compounds design and adjustment, application of the photosensitive systems for the selected biomedical and technological functions (such as OLEDs, DSSCs or photodynamic therapy), quantum chemistry models for dye description: particle in the box, Huckel method, TD-DFT, absorption and emission in the solvent and in solid state, aggregation influence on emission phenomena
Computer lab: For the exemplary systems with available experimental data for absorption and emission, the modeling of the ground and excited state strucure will be performed, the electron density difference corresponding to the intramolecular charge transfer upon excitation, influence of the substituent effect and intermolecular interactions on the photophysical properties will be analyzed. The reaction paths modeling for the proton transfer in ground and excited states, leading to the dual emission and vital for the design of fluorofores exhibiting large Stokes shift, will be performed.