Universität zu Köln

Schmiedt, Hanno, Jensen, Per ORCID: 0000-0001-5133-7621 and Schlemmer, Stephan ORCID: 0000-0002-1421-7281 (2017). The role of angular momentum in the superrotor theory for rovibrational motion of extremely flexible molecules. J. Mol. Spectrosc., 342. S. 132 - 138. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

Recently, we proposed a novel approach to the description of the rotation-vibration motion for extremely flexible molecules (Schmiedt et al., 2016, 2017). Such molecules have multiple very soft vibrational modes and so, they lack a well-defined equilibrium structure. We have applied the new superrotor model to the prototype example of an extremely flexible molecule, CH5+, for which we combine two, essentially free vibrational modes (describing internal rotation) with the over-all rotation of the molecule and consider the resulting motion as a free rotation in five-dimensional space, with a Hamiltonian whose symmetry is described by SO(5), the five-dimensional rotation group. In the present work we discuss the correlation between the superrotor energies and those obtained in the more usual situation of the internal and over-all rotations being separable, and we give an initial discussion of the selection rules for electric dipole transitions obtained in the superrotor approach. Such selection rules are required for a detailed comparison between the superrotor predictions and the available, experimentally derived energy spacings (Asvany et al., 2015; Brackertz, 2016). (C) 2017 Published by Elsevier Inc.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Schmiedt, Hanno UNSPECIFIED UNSPECIFIED UNSPECIFIED Jensen, Per UNSPECIFIED orcid.org/0000-0001-5133-7621 UNSPECIFIED Schlemmer, Stephan UNSPECIFIED orcid.org/0000-0002-1421-7281 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-209813
DOI:	10.1016/j.jms.2017.06.002
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	342
Page Range:	S. 132 - 138
Date:	2017
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Physics > Institute of Physics I
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language IRREDUCIBLE REPRESENTATIONS; ROTATION; SYMMETRY Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/20981