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 -