Details
| Original language | English |
|---|---|
| Pages (from-to) | 100-107 |
| Number of pages | 8 |
| Journal | Journal of molecular spectroscopy |
| Volume | 267 |
| Issue number | 1-2 |
| Early online date | 27 Feb 2011 |
| Publication status | Published - May 2011 |
Abstract
Rotational transitions of iso-propyl cyanide, (CH3) 2CHCN, also known as iso-butyronitrile, were recorded using long-path absorption spectroscopy in selected regions between 37 and 600 GHz. Further measurements were carried out between 6 and 20 GHz employing Fourier transform microwave (FTMW) spectroscopy on a pulsed molecular supersonic jet. The observed transitions reach J and Ka quantum numbers of 103 and 59, respectively, and yield accurate rotational constants as well as distortion parameters up to eighth order. The 14N nuclear hyperfine splitting was resolved in particular by FTMW spectroscopy yielding spin-rotation parameters as well as very accurate quadrupole coupling terms. In addition, Stark effect measurements were carried out in the microwave region to obtain a largely revised c-dipole moment component and to improve the a-component. The hyperfine coupling and dipole moment values are compared with values for related molecules both from experiment and from quantum chemical calculations.
Keywords
- Dipole moment, Hyperfine structure, Interstellar molecule, Nuclear quadrupole coupling, Rotational spectroscopy
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
- Chemistry(all)
- Spectroscopy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of molecular spectroscopy, Vol. 267, No. 1-2, 05.2011, p. 100-107.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Rotational spectroscopy, dipole moment and 14N nuclear hyperfine structure of iso-propyl cyanide
AU - Müller, Holger S.P.
AU - Coutens, Audrey
AU - Walters, Adam
AU - Grabow, Jens Uwe
AU - Schlemmer, Stephan
N1 - Funding Information: We appreciate the help of Frank Lewen and Christian P. Endres with the spectrometer systems. H.S.P.M. is very grateful to the Bundesministerium für Bildung und Forschung (BMBF) for financial support aimed at maintaining the Cologne Database for Molecular Spectroscopy, CDMS. This support has been administered by the Deutsches Zentrum für Luft- und Raumfahrt (DLR). A.C. and A.W. thank the French National Program PCMI (CNRS/INSU) and the Observatoire Midi-Pyrénées for funding. J.-U.G. acknowledges support by the Deutsche Forschungsgemeinschaft (DFG) and the Land Niedersachsen.
PY - 2011/5
Y1 - 2011/5
N2 - Rotational transitions of iso-propyl cyanide, (CH3) 2CHCN, also known as iso-butyronitrile, were recorded using long-path absorption spectroscopy in selected regions between 37 and 600 GHz. Further measurements were carried out between 6 and 20 GHz employing Fourier transform microwave (FTMW) spectroscopy on a pulsed molecular supersonic jet. The observed transitions reach J and Ka quantum numbers of 103 and 59, respectively, and yield accurate rotational constants as well as distortion parameters up to eighth order. The 14N nuclear hyperfine splitting was resolved in particular by FTMW spectroscopy yielding spin-rotation parameters as well as very accurate quadrupole coupling terms. In addition, Stark effect measurements were carried out in the microwave region to obtain a largely revised c-dipole moment component and to improve the a-component. The hyperfine coupling and dipole moment values are compared with values for related molecules both from experiment and from quantum chemical calculations.
AB - Rotational transitions of iso-propyl cyanide, (CH3) 2CHCN, also known as iso-butyronitrile, were recorded using long-path absorption spectroscopy in selected regions between 37 and 600 GHz. Further measurements were carried out between 6 and 20 GHz employing Fourier transform microwave (FTMW) spectroscopy on a pulsed molecular supersonic jet. The observed transitions reach J and Ka quantum numbers of 103 and 59, respectively, and yield accurate rotational constants as well as distortion parameters up to eighth order. The 14N nuclear hyperfine splitting was resolved in particular by FTMW spectroscopy yielding spin-rotation parameters as well as very accurate quadrupole coupling terms. In addition, Stark effect measurements were carried out in the microwave region to obtain a largely revised c-dipole moment component and to improve the a-component. The hyperfine coupling and dipole moment values are compared with values for related molecules both from experiment and from quantum chemical calculations.
KW - Dipole moment
KW - Hyperfine structure
KW - Interstellar molecule
KW - Nuclear quadrupole coupling
KW - Rotational spectroscopy
UR - http://www.scopus.com/inward/record.url?scp=79958123873&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2011.02.011
DO - 10.1016/j.jms.2011.02.011
M3 - Article
AN - SCOPUS:79958123873
VL - 267
SP - 100
EP - 107
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
SN - 0022-2852
IS - 1-2
ER -