Yamada, Koichi M. T., Asvany, Oskar and Schlemmer, Stephan (2022). K-type doubling in the rotational spectrum of CH3+-He: A group theoretical explanation. J. Mol. Spectrosc., 388. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

In a previous paper, we reported the pure rotational spectrum of the CH3+-He ion observed in a 22-pole ion trap by IR-MW double resonance spectroscopy [Topfer et al. (2018)]. In that work the K = 1 rotational levels in the ground state of the ion were observed to be split, i.e. the K-type doubling was observed. This finding would be consistent with a slightly asymmetric rotor of C-s symmetry, although ab-initio calculations predict that the equilibrium structure of the ion is of C-3v symmetry. In the present study we inspect the energy-level correlation-diagram between the semi-rigid symmetric-top (C-3v), the free internal-rotor (C(M) 3v ), and the semi-rigid asymmetric-top models (Cs), by using group theory, especially the correlation and reverse correlation in the symmetry representations. We find that the lowest K = 1rotational levels of the CH+3-He ion can be of A1 (R) A2 symmetry rather than of E symmetry, and thus they can be split depending on the nature of the C-He bending vibration.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Yamada, Koichi M. T.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Asvany, OskarUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Schlemmer, StephanUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-667545
DOI: 10.1016/j.jms.2022.111670
Journal or Publication Title: J. Mol. Spectrosc.
Volume: 388
Date: 2022
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
SYMMETRIC TOP MOLECULESMultiple languages
Physics, Atomic, Molecular & Chemical; SpectroscopyMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/66754

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