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Article Dans Une Revue Journal of Molecular Spectroscopy Année : 2022

LLWP-A new Loomis-Wood software at the example of Acetone-C-13(1)

Luis Bonah
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Stephan Schlemmer
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Résumé

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.

Domaines

Chimie

Dates et versions

hal-03797276 , version 1 (04-10-2022)

Identifiants

Citer

Luis Bonah, Oliver Zingsheim, Holger S. P. Mueller, Jean-Claude Guillemin, Frank Lewen, et al.. LLWP-A new Loomis-Wood software at the example of Acetone-C-13(1). Journal of Molecular Spectroscopy, 2022, 388, ⟨10.1016/j.jms.2022.111674⟩. ⟨hal-03797276⟩
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