Universität zu Köln

Hermanns, M., Wehres, N., Lewen, F., Mueller, H. S. P. and Schlemmer, S. (2019). Rotational spectroscopy of the two higher energy conformers of 2-cyanobutane. J. Mol. Spectrosc., 358. S. 25 - 37. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

We present high-resolution rotational spectroscopy of the two higher energy conformers of 2-cyanobutane (C4H9CN). We analysed spectra starting from 12 to 27 GHz using the Cologne chirpedpulse (CP) Fourier transform microwave spectrometer, which we discuss for the first time. Spectra between 36 and 402 GHz were also recorded by means of frequency modulated (FM) absorption spectroscopy. In addition, quantum chemical calculations were performed assisting the assignments. Furthermore ground state energies of the conformers have been calculated and subsequent experimental analysis of line intensities have been performed. This study provides precise spectroscopic constants, relative energies and vibrational frequencies of the three conformers for the search of 2-cyanobutane in star-forming regions. Additionally, this molecule poses an interesting case to test our knowledge of the abundance of chiral molecules in space. (C) 2018 Published by Elsevier Inc.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Hermanns, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Wehres, N. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewen, F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Mueller, H. S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-152667
DOI:	10.1016/j.jms.2018.11.009
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	358
Page Range:	S. 25 - 37
Date:	2019
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MOLECULAR-SPECTROSCOPY; COLOGNE DATABASE; MILLIMETER; SPECTRUM; CYANIDE; PREDICTION Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/15266