Hannover 2016 – wissenschaftliches Programm

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SYML: Symposium From First Molecules to Life

SYML 2: Molecules and Ions in Isolation

SYML 2.3: Hauptvortrag

Mittwoch, 2. März 2016, 15:15–15:45, e415

A generalized theory for rovibrational motion in cold, extremely floppy molecules — •Hanno Schmiedt¹, Per Jensen², and Stephan Schlemmer¹ — ¹I. Physikalisches Institut, Universität zu Köln — ²Physikalische und Theoretische Chemie, Bergische Universität Wuppertal

We present a fundamentally new theory of the non-separable [1] rotational and vibrational motion in the class of extremely floppy molecules, with a special focus on its most prominent member, protonated methane (CH₅⁺). Based on the molecular symmetry, we find the rotation group in five dimensions, O(5), to be the underlying dynamical group. For protonated methane, it is now possible to predict for the very first time (i) energy levels in a zero-order approximation, (ii) dipole selection rules, and (iii) branching rules for the still valid three-dimensional angular momentum quantum number. Additionally, a classification of the eigenstates of the O(5) theory in the finite molecular symmetry group can be established.
Most astonishing, two new quantum numbers are identified to be the basis of the new theory. In this talk, we will show its very first application to experimental data, published only recently [2], and show how they fit surprisingly well within the zero-order approximation.

[1] Schmiedt, H., Schlemmer, S., Jensen, P., J. Chem. Phys. 143 (15),154302 (2015)

[2] Asvany, O., Yamada, K.M.T., Brünken, S., Popatov, A., Schlemmer S., Science 347, 1346-1349 (2015)