Freiburg 2024 – scientific programme

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MO: Fachverband Molekülphysik

MO 8: Poster: Collisions

MO 8.4: Poster

Tuesday, March 12, 2024, 17:00–19:00, Tent C

Dynamics of the oxygen atom transfer reaction between Ta ⁺ /Nb ⁺ and carbon dioxide — •Marcel Meta¹, Maximilian E. Huber¹, Maurice Birk¹, Tim Michaelsen², Atilay Ayasli², Milan Ončàk², Roland Wester², and Jennifer Meyer¹ — ¹Fachbereich Chemie and Forschungszentrum OPTIMAS, RPTU Kaiserslautern-Landau, Kaiserslautern, Germany — ²Institut fur Ionenphysik und Angewandte Physik, Universität Innsbruck, Innsbruck, Austria

The four atom reaction M⁺ + CO₂ presents a benchmark system for CO ₂ activation in the gas phase and has been investigated throughout the last decades with different methods and along the periodic table. Recent crossed beam experiments on the reaction dynamics of the oxygen atom transfer (OAT) reaction between Ta ⁺ + CO ₂ → TaO ⁺ + CO showed dominantly indirect dynamics despite the thermal rates being close to collision rate and the reaction being highly exothermic.[1] Here, we compare the dynamics of the OAT reaction for the tantalum cation Ta ⁺ and its lighter homologue niobium Nb ⁺ as a means to alter spin-orbit coupling. The main focus is to gain insight into the nature of the bottle-neck for Ta ⁺ + CO ₂ : If it is a submerged transition state or a crossing point between the quintet and triplet surfaces. Ultimately, a multi-method approach of experiment and theoretical modelling is used to better assign a nature to the bottleneck.
[1] M. Meta, M. E. Huber, T. Michaelsen, A. Ayasli, M. Ončàk, R. Wester, J. Meyer, J. Phys. Chem. Lett. 24, 5524 (2023)

Keywords: Velocity Map Imaging; Molecular Physics; Collision; Reaction Dynamics