Bonn 2025 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 22: Ultrafast Dynamics III
MO 22.1: Vortrag
Donnerstag, 13. März 2025, 11:00–11:15, HS XVI
Ultrafast Relaxation Dynamics of the Q-Bands in Chlorophyll a in Ethanol — •Lena Bäuml, Ferdinand Pointner, Sebastian Reiter, and Regina de Vivie-Riedle — Department of Chemistry, LMU Munich, Germany
The natural pigment chlorophyll adopts different functions during the conversion of sunlight to chemical energy. Depending on its environment, its role in photosynthetic light-harvesting varies significantly.
In this work we investigate the excited states dynamics of chlorophyll a in ethanol. In a previously published study[1], conducted in the gas phase, we focused on the relaxation process after excitation into the Q-band. There, we found the Qx and Qy band to be strongly coupled via internal vibrations. It is known, that solvents significantly alter the spectral shape of e.g. absorption or fluorescence spectra and influence the population decay times in the ultrafast relaxation process. Therefore, now the influence of solvent environment, specifically ethanol, on the coupling situation and the relaxation dynamics is under investigation. We present a variation of a QD/MD scheme developed in our group[2] and discuss the observed changes compared with our results for chlorophyll a in the gas phase.
[1] L. Bäuml et al., Phys. Chem. Chem. Phys. 24, 27212 (2022).
[2] S. Reiter et al., J. Am. Chem. Soc. 140, 8714 (2018).
Keywords: chlorophyll a; photoinduced dynamics; solvent effects; QM/MM; XMS-CASPT2