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Hannover 2020 – scientific programme

The DPG Spring Meeting in Hannover had to be cancelled! Read more ...

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MO: Fachverband Molekülphysik

MO 17: Theory

MO 17.8: Talk

Thursday, March 12, 2020, 15:45–16:00, f142

On the Molecular Symmetry of Protonated Methane — •Stefan Brackertz1, Benjamin Nukic1, Thomas Salomon1, Per Jensen2, and Stephan Schlemmer11I. Physikalisches Institut, University of Cologne — 2Physikalische und theoretische Chemie, Universität Wuppertal

The energy term diagram of the lowest energy ro-vibrational states of CH5+ has eluded any analytical description until Schmiedt et al. proposed a 5d superrotor model in 2015. In 2018 Fábri and Császár used quantum graphs to describe the internal motions. Numerical results have been published in 2016 by Wang et al. All of these approaches describe the experimental energies resonably well but seem to be incompatible regarding molecular symmetry.

We present results on the relations between these approaches:

These considerations are also used for the modeling of a simpler case of a fluxional molecule, HeH3+, which is subject to internal as well as end-over-end rotation.

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