Universität zu Köln

Bonah, Luis ORCID: 0000-0001-5686-7883, Zingsheim, Oliver, Mueller, Holger S. P., Guillemin, Jean-Claude, Lewen, Frank and Schlemmer, Stephan (2022). LLWP-A new Loomis-Wood software at the example of Acetone-C-13(1). J. Mol. Spectrosc., 388. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

Full text not available from this repository.

Abstract

Acetone -C-13(1) is a complex organic molecule with two internal methyl (-CH3) rotors having relatively low effective barriers to internal rotation of about 249 cm(-1). This leads to two low-lying torsional modes and five internal rotation components resulting in a dense and complicated spectrum. In this study, measurements of acetone -(13)C(1 )were performed with an isotopically enriched sample in the frequency range 37-1102 GHz. Predicted spectra of acetone -C-13(1) created with ERHAM allow for future radio astronomical searches.Loomis-Wood plots are one approach to improve and fasten the analysis of such crowded spectra. In this study, the new Loomis-Wood software LLWP was used for fast and confident assignments. LLWP focuses on being user-friendly, intuitive, and applicable to a broad range of assignment tasks. The software is presented here and can be downloaded from llwp.astro.uni-koeln.de.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Bonah, Luis UNSPECIFIED orcid.org/0000-0001-5686-7883 UNSPECIFIED Zingsheim, Oliver UNSPECIFIED UNSPECIFIED UNSPECIFIED Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Guillemin, Jean-Claude UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewen, Frank UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, Stephan UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-675039
DOI:	10.1016/j.jms.2022.111674
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:	Keywords Language ROTATIONAL SPECTRUM; INTERNAL-ROTATION; LABORATORY ASSIGNMENTS; MICROWAVE-SPECTRUM; ACETONE; MOLECULES; SPECTROSCOPY; PREDICTIONS; MILLIMETER; CH3COCH3 Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/67503