Universität zu Köln

Brackertz, Stefan, Schlemmer, Stephan ORCID: 0000-0002-1421-7281 and Asvany, Oskar (2017). Searching for new symmetry species of CH5+ - From lines to states without a model. J. Mol. Spectrosc., 342. S. 73 - 83. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

CH5+ is a prototype of an extremely flexible molecule for which the quantum states have eluded an analytical description so far. Therefore, the reconstruction of its quantum states relies on methods as e.g. the search for accumulations of combination differences of rovibrational transitions. Using the available high resolution data of the Cologne laboratories [1], this reconstruction has been improved by using the properties of kernel density estimators as well as new combinatorial approaches to evaluate the found accumulations. Two new symmetry sets have been discovered, and the known ones extended, with 1063 of the 2897 measured lines assigned, which is a significant improvement over the 65 assignments of the previous work. This allowed us not only to reconstruct more parts of the ground state levels, but also of the vibrationally excited states of CH5+. (C) 2017 Elsevier Inc. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Brackertz, Stefan UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, Stephan UNSPECIFIED orcid.org/0000-0002-1421-7281 UNSPECIFIED Asvany, Oskar UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-209799
DOI:	10.1016/j.jms.2017.08.008
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	342
Page Range:	S. 73 - 83
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 INFRARED-SPECTRUM; SPECTROSCOPY; MOLECULES; MARVEL; STORY; H2D+ Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/20979