Llwp − Updates On A New Loomis-wood Software At The Example Of Acetone-13c1

Bonah, Luis

Permalink

https://hdl.handle.net/2142/116542 Copy

Description

Title

Llwp − Updates On A New Loomis-wood Software At The Example Of Acetone-13c1

Author(s)

Bonah, Luis

Contributor(s)

• Schlemmer, Stephan
• Lewen, Frank
• Guillemin, J.-C.
• Thorwirth, Sven
• Müller, Holger S. P.
• Zingsheim, Oliver

Issue Date

2022-06-23

Keyword(s)

Instrument/Technique Demonstration

Abstract

Acetone-$^{13}$C$_1$ is a complex organic molecule with two internal methyl (-CH$_3$) rotors having relatively low barriers to internal rotation of 251 cm$^{-1}$ [1]. This leads to two low-lying torsional modes and five internal rotation components resulting in a dense and complex spectrum. Similar conditions can be found in many complex molecules, with isotopologues, hyperfine structure, and interactions being additional factors for the presence of even more crowded spectra than that of acetone. Measurements of acetone-$^{13}$C$_1$ were performed with an isotopically enriched sample in the frequency range from 37-1102 GHz. Loomis-Wood plots (LWPs) are one approach to improve and fasten the analysis of such crowded spectra. Here, an updated version of the LLWP software was used which relies on LWPs for fast and confident assignments. Additionally, LLWP focuses on being user-friendly, intuitive, and applicable to a broad range of assignment tasks. The software will be presented here and is available together with its full documentation at \mbox{llwp.astro.uni-koeln.de}. Predictions of acetone-$^{13}$C$_1$ created with ERHAM [2] allow for future radio astronomical searches. \newline\newline [1] P. Groner, \textit{J. Mol. Struct.} \textbf{550-551} (2000) 473-479. \newline [2] P. Groner, \textit{J. Chem. Phys.} \textbf{107} (1997) 4483-4498. \newline [3] P. Groner, \textit{J. Mol. Spectrosc.} \textbf{278} (2012) 52-67.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116542&&

DOI

https://doi.org/10.15278/isms.2022.RJ07

Copyright and License Information

Copyright 2022 held by the authors

Owning Collections