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MO: Fachverband Molekülphysik
MO 8: Poster: Collisions
MO 8.3: Poster
Dienstag, 12. März 2024, 17:00–19:00, Tent C
Dynamics of methane CH4 activation by tantalum cations Ta+ in gas phase — Marcel Meta1, Maximilian Huber1, •Maurice Birk1, Martin Wedele1, Milan Ončák2, and Jennifer Meyer1 — 1RPTU Kaiserslautern-Landau, Fachbereich Chemie und Landesforschungszentrum OPTIMAS, Kaiserslautern, Germany — 2Universität Innsbruck, Institut für Ionenphysik und Angewandte Physik, Innsbruck, Austria
To understand reactions on an atomic-level, we make use of well-defined model systems in the gas phase. We are interested in the rearrangement of atoms during a reaction, i.e. the atomistic dynamics which we investigate by measuring energy and angle differential cross sections [1,2].
The reaction Ta+ + CH4→ TaCH2+ + H2 in it’s quintet ground state is endothermic and spin forbidden. However the reaction is still observed at room temperature. An efficient crossing from the quintet surface over to the triplet surface leads to the exothermic formation of TaCH2+ [3-6]. The title reaction was investigated by measuring experimental energy and angle differential cross sections via crossed beam velocity map imaging supported by quantum chemical calculations.
[1] J. Meyer, R. Wester, Annu. Rev. Phys. Chem. 2017, 68, 333;
[2] M. Meta et. al., J. Phys. Chem. Lett. 2023, 14, 24, 5524;
[3] J. F. Eckhard et. al., J. Phys. Chem. 2021, 125, 5289;
[4] J. M. Bakker et. al., J. Mol. Spetrosc. 2021, 378, 111472;
[5] L. G. Parke et. al., J. Phys. Chem. 2007, 111, 17773;
[6] E. Sicilia et. al., Phys. Chem. Chem. Phys. 2017, 19, 16178
Keywords: VMI, Tantalum, Methane, Collisions