Junior research group Theoretical Chemistry

Dassia Egorova

Ultrafast Dynamics and Time-resolved Spectroscopy

Research project

Photophysics of fluorinated benzenes

in collaboration with the group of F. Temps (Kiel)

In highly fluorinated benzenes (pentafluorobenzene and hexafluorobenzene), strong ππ*-πσ* interaction via out-of-plane vibrational motion leads to a conical intersection and manifests itself as very robust coherent oscillations in time-resolved optical signals. We analyse the origin of the oscillatory signatures by means of ab initio vibronic-coupling Hamiltonian and MCTDH simulations.

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