LLWP—A new Loomis-Wood software at the example of Acetone-13C1

Journal of Molecular Spectroscopy(2022)

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摘要
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.
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关键词
Acetone-13C1,Software,Rotational spectroscopy,Loomis-Wood plots
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