Imaging large amplitude out-of-plane motion in photoexcited pentafluorobenzene using time-resolved photoelectron spectroscopy: a computational study

Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology
Matthieu Sala, Dassia Egorova

Abstract

Excited-state dynamics of pentafluorobenzene is studied in detail for a quartic vibronic coupling model including the six b1 vibrational modes of the molecule and the two lowest excited electronic states. The study analyzes the influence of the large-amplitude out-of-plane vibrational motion on the electronic dynamics and extends to the simulation of the emerging time-resolved photoelectron spectra. The mapping of coherent non-separable electron-nuclear motion into oscillatory photoelectron signals is discussed.

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Citations

Jul 27, 2021·The Journal of Physical Chemistry. a·Junggil KimSang Kyu Kim
Sep 28, 2021·Physical Chemistry Chemical Physics : PCCP·Svetlana M SudarkovaSergey A Kovalenko

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