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

Full text not available from this repository.

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:
CreatorsEmailORCIDORCID Put Code
Schmiedt, HannoUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Jensen, PerUNSPECIFIEDorcid.org/0000-0001-5133-7621UNSPECIFIED
Schlemmer, StephanUNSPECIFIEDorcid.org/0000-0002-1421-7281UNSPECIFIED
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: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
IRREDUCIBLE REPRESENTATIONS; ROTATION; SYMMETRYMultiple languages
Physics, Atomic, Molecular & Chemical; SpectroscopyMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/20981

Downloads

Downloads per month over past year

Altmetric

Export

Actions (login required)

View Item View Item