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arXiv · 2207.13953

LLWP -- A new Loomis-Wood Software at the Example of Acetone-13C1

Luis Bonah·Oliver Zingsheim·Holger S. P. Müller·Jean-Claude Guillemin·Frank Lewen·Stephan Schlemmer
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Abstract

Acetone-13C1 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-13C1 were performed with an isotopically enriched sample in the frequency range 37-1102 GHz. Predicted spectra of acetone-13C1 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.

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Luis Bonah, Oliver Zingsheim, Holger S. P. Müller, Jean-Claude Guillemin, Frank Lewen, Stephan Schlemmer. 2022-07-28. LLWP -- A new Loomis-Wood Software at the Example of Acetone-13C1. https://doi.org/10.1016/j.jms.2022.111674

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