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 Title: HIGH RESOLUTION SPECTROSCOPY OF 3-METHYLBUTYRONITRILE BETWEEN 2 AND 400 GHZ Author(s): Schlemmer, Stephan Contributor(s): Müller, Holger S. P.; Grabow, Jens-Uwe; Lewen, Frank; Borisov, Kirill; Wilkins, Olivia H.; Hermanns, Marius; Wehres, Nadine Subject(s): Conformers and isomers Abstract: We present high-resolution rotational spectroscopy of the two conformers of 3-methylbutyronitrile. Spectra were taken between 2-24~GHz by means of Fourier transform microwave spectroscopy. Spectra between 36 and 402~GHz were recorded by means of frequency modulated (FM) absorption spectroscopy. The analysis yields precise rotational constants and higher order distortion constants, as well as a set of $^{14}$N nuclear electric quadrupole coupling parameters. In addition, quantum chemical calculations were performed assisting the assignments. Frequency calculations yield insight into the vibrational energy structure from which partition functions and vibrational correction factors are determined. These are used to determine experimentally and computationally the energy difference between the conformers, which is revealed to be negligeable. Overall, this study provides precise spectroscopic constants for the search of 3-methylbutyronitrile in the interstellar medium. In particular, this molecule is an interesting testcase to check our knowledge of (branched) molecule formation in space. Issue Date: 06/20/18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/100582 DOI: 10.15278/isms.2018.WJ04 Other Identifier(s): WJ04 Date Available in IDEALS: 2018-08-172018-12-12
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