SAMOP 2023 – scientific programme
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MO: Fachverband Molekülphysik
MO 6: Poster I
MO 6.23: Poster
Tuesday, March 7, 2023, 16:30–19:00, Empore Lichthof
Femtosecond Spectroscopy of a highly strained benzene isomer — •Lukas Faschingbauer1, Tobias Preitschopf1, Jens Petersen1, Lou Barreau2, Lionel Poisson2, Roland Mitric1, and Ingo Fischer1 — 1Institut für Physikalische und Theoretische Chemie, Würzburg, Germany — 2Institut des Sciences Moléculaires d'Orsay, Orsay, France
As a highly strained benzene isomer, 3,4-dimethylenecyclobutene (DMCB) forms an intriguing system to study the dynamics of its excited states, both from an experimental and a theoretical point of view. The formally Woodward-Hoffmann allowed electrocyclic ring opening to 1,2,4,5-hexatetraene is not observed, in contrast to the thermal counterpart, which has been observed in pathways to benzene in flames. Nevertheless, as indicated by a very broad and diffuse gas-phase UV/VIS absorption spectrum, ultrafast non-radiative decay is observed by femtosecond time-resolved photoelectron and time-of-flight mass spectrometry. To explore the underlying mechanism, ab initio calculations and mixed quantum-classical surface hopping molecular dynamics simulations have been performed.