High-resolution spectroscopy of two conformers of 2-cyanobutane between 10 and 400 GHz

Schlemmer, Stephan

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https://hdl.handle.net/2142/100656 Copy

Description

Title

High-resolution spectroscopy of two conformers of 2-cyanobutane between 10 and 400 GHz

Author(s)

Schlemmer, Stephan

Contributor(s)

• Müller, Holger S. P.
• Lewen, Frank
• Wehres, Nadine
• Hermanns, Marius

Issue Date

2018-06-20

Keyword(s)

Conformers and isomers

Abstract

We present high-resolution rotational spectroscopy of two out of three conformers of 2-cyanobutane. Spectra were taken between 10-26 GHz by means of chirped-pulse 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 14N nuclear electric quadrupole coupling parameters. In addition, quantum chemical calculations were performed assisting the assignments. Calculations of vibrational frequencies 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. Overall, this study provides precise spectroscopic constants for the search of 2-cyanobutane in the interstellar medium. In particular, this molecule appears as an interesting case to test our knowledge of (branched) molecule formation in space.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100656

DOI

10.15278/isms.2018.WJ05

Copyright and License Information

Copyright 2018 Stephan Schlemmer

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