Stuttgart 2012 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 9: Femtosecond Spectroscopy II
MO 9.5: Vortrag
Dienstag, 13. März 2012, 11:45–12:00, V38.03
Introducing a new concept to understand excited state dynamics in polyenes: The dynamophore — •Oliver Schalk1,2, Andrey E. Boguslavskiy1, Michael S. Schuurman1, Eberhard Riedle2, and Albert Stolow1 — 1SIMS, Ottawa, Canada — 2BioMolekulare Optik, LMU, München
In organic molecules, UV- and vis-photons are absorbed by a chromophore, which constitutes the part of a molecule where the electronic transition for a given spectral band is localized. However, the dynamics induced by these photons may take place in a distinct region of the molecular framework. We define this region as dynamophore, i.e. the entity where the nuclear dynamics upon light absorption are mainly localized. This concept allows for systematizing recurring patterns in the relaxation pathway of different molecules and provides the possibility to develop a simplified model for the photodyamics. In this presentation, we elaborate on this new concept and show first examples from our time resolved photoelectron studies and ab initio calculations on small polyenes such as butadiene, cyclopentadiene [1], and cyclohexa-1,4-diene [2]. These examples emphasize a trend toward the localization of excited state dynamics, and illustrate the importance of Franck-Condon active modes in the selection of a specific dynamophore.
[1] O. Schalk et al. J. Phys. Chem. A 114, 4508 (2010).
[2] O. Schalk et al. J. Am. Chem. Soc. 131, 16451 (2011).