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MO: Fachverband Molekülphysik

MO 1: Ultrafast Structural Dynamics

MO 1.4: Vortrag

Montag, 2. März 2026, 12:30–12:45, P 105

Resolving Reactive vs. Non-reactive Pathways in Ultrafast Photodissociation via Pulse Engineering — •Ilia Kichev, Vesna Erić, and Daniel Keefer — Max-Planck Institute for Polymer Research, Ackermannweg 10, 56128 Mainz, Germany

Ultrafast spectroscopy experiments use coherent laser sources to probe dynamics and chemical reactivity in molecular systems. Ultrafast photodissociation dynamics in substituted furan remain contentious, with experiments attributing primary reactivity to competing pathways: reactive ring (RO) opening and non-reactive ring puckering (RP). Both pathways encounter regions with conical intersections (CoIns), which further complicates the task to spectroscopically untangle them. The main hurdle is the fact that the chosen spectroscopic observables from both pathways are intertwined and difficult to separate. Here, we deploy Quantum Optimal Control Theory (QOCT) Pulse Engineering to isolate spectroscopic signals from both pathways. First, we tailor in silico optimal laser pulses that selectively drive the system toward one of the desired pathways. Then, the signal is spectrally examined to identify critical frequency/amplitude motifs governing pathway selectivity. This will lead to further understanding in the specifics of the reaction, enabling improved experiments and a deeper understanding of the dynamics of similar systems.

Keywords: Quantum Optimal Control; Pulse Engeneering; Reaction Pathway Selection; In silico Modeling; Conical Intersections