2018A&A...615A.140W


C.D.S. - SIMBAD4 rel 1.7 - 2020.04.08CEST05:11:19

2018A&A...615A.140W - Astronomy and Astrophysics, volume 615A, 140-140 (2018/7-1)

Rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C4H9CN) between 2 and 400 GHz.

WEHRES N., HERMANNS M., WILKINS O.H., BORISOV K., LEWEN F., GRABOW J.-U., SCHLEMMER S. and MULLER H.S.P.

Abstract (from CDS):

We present high-resolution rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C4H9CN). Spectra were taken between 2 and 24GHz by means of Fourier transform microwave spectroscopy. Spectra between 36 and 403GHz 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 for each of the two conformers. In addition, quantum chemical calculations were performed in order to assist the assignments. Frequency calculations yield insight into the vibrational energy structure of the two conformers, from which partition functions and vibrational correction factors are determined. These factors are used to determine experimentally and computationally the energy difference between the two conformers, which is revealed to be negligible. Overall, this study provides precise spectroscopic constants for the search of 3-methylbutyronitrile in the interstellar medium. In particular, this molecule is a perfect test case for our knowledge of branched molecule formation in space.

Abstract Copyright: © ESO 2018

Journal keyword(s): laboratory: molecular - techniques: spectroscopic - radio lines: ISM - ISM: molecules - astrochemistry

VizieR on-line data: <Available at CDS (J/A+A/615/A140): 3MBN-anti-conformer-fit.txt 3MBN-gauche-conformer-fit.txt>

Status at CDS:  

Simbad objects: 6

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Number of rows : 6

N Identifier Otype ICRS (J2000)
RA
ICRS (J2000)
DEC
Mag U Mag B Mag V Mag R Mag I Sp type #ref
1850 - 2020
#notes
1 NAME OMC-1 MoC 05 35 14 -05 22.4           ~ 1003 2
2 M 42 HII 05 35 17.3 -05 23 28           ~ 3695 0
3 NAME Sgr A* X 17 45 40.03599 -29 00 28.1699           ~ 3368 3
4 NAME Sgr B MoC 17 47 02 -28 25.4           ~ 187 0
5 NAME Sgr B2N Mas 17 47 20.0 -28 22 40           ~ 29 1
6 NAME Sgr B2 MoC 17 47 20.4 -28 23 07           ~ 1886 1

    Equat.    Gal    SGal    Ecl

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2020.04.08-05:11:19

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