J/ApJ/777/120ivo://CDS.VizieR/J/ApJ/777/120doi:10.26093/cds/vizier.17770120CDSHaykal I.Margules L.Huet T.R.Motyienko R.A.Ecija P.Cocinero E.J.,Basterretxea F.Fernandez J.A.Castano F.Lesarri A.Guillemin J.C.,Tercero B.Cernicharo J.2015-06-02T11:49:11Z2015-05-06T11:38:22ZCDS support team

CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France

cds-question@unistra.fratomic-physicsOrganic isocyanides have an interesting astrochemistry and some of these molecules have been detected in the interstellar medium (ISM). However, rotational spectral data for this class of compounds are still scarce. We provide laboratory spectra of the four-carbon allyl isocyanide covering the full microwave region, thus allowing a potential astrophysical identification in the ISM. We assigned the rotational spectrum of the two cis (synperiplanar) and gauche (anticlinal) conformations of allyl isocyanide in the centimeter-wave region (4-18GHz), resolved its ^14^N nuclear quadrupole coupling (NQC) hyperfine structure, and extended the measurements into the millimeter and submillimeter-wave (150-900GHz) ranges for the title compound. Rotational constants for all the monosubstituted ^13^C and ^15^N isotopologues are additionally provided. Laboratory observations are supplemented with initial radioastronomical observations. Following analysis of an extensive dataset (>11000 rotational transitions), accurate ground-state molecular parameters are reported for the cis and gauche conformations of the molecule, including rotational constants, NQC parameters, and centrifugal distortion terms up to octic contributions. Molecular parameters have also been obtained for the two first excited states of the cis conformation, with a dataset of more than 3300 lines. The isotopic data allowed determining substitution and effective structures for the title compound. We did not detect allyl isocyanide either in the IRAM 30m line survey of Orion KL or in the PRIMOS survey toward SgrB2.2013ApJ...777..120Hhttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/ApJ/777/120CatalogResearchIsServedByTAP VizieR generic servicerelated-toJ/A+A/572/A44 : Vibrationally excited vinyl cyanide in Orion-KL (Lopez+, 2014)J/ApJ/768/81 : Ethyl cyanide, CH_3_CH_2_CN, vibrational states (Daly+, 2013)J/A+A/553/A84 : (Sub)mm spectrum of deuterated methyl cyanides (Nguyen+, 2013)J/A+A/549/A96 : mm and sub-mm spectra of 13C-glycolaldehydes (Haykal+, 2013)J/A+A/544/A82 : Rotational spectrosc. of diisocyanomethane (Motiyenko+, 2012)J/A+A/493/565 : Deuterated and ^15^N ethyl cyanides (Margules+, 2009)J/ApJS/156/127 : 350{mu}m molecular line survey of Orion KL (Comito+, 2005)https://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/ApJ/777/120https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/ApJ/777/120http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/ApJ/777/120https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/ApJ/777/120https://vizier.iucaa.in/viz-bin/votable?-source=J/ApJ/777/120http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/ApJ/777/120GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/ApJ/777/120/table2Result of the fit for the ground state and the excited vibrational states of cis allyl isocyaniderecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintv"[0/2] Upper quantum number v"phys.atmol.qn;stat.maxintJ"[1/99] Upper quantum number J"phys.atmol.qnintKa"[0/39] Upper quantum number Ka"phys.atmol.qn;stat.maxintKc"[0/99] Upper quantum number Kc"phys.atmol.qn;stat.maxintF"[0/6]? Upper quantum number F"phys.atmol.qnintnullablev'[0/2] Lower quantum number v'phys.atmol.qn;stat.minintJ'[0/98] Lower quantum number J'phys.atmol.qn;stat.minintKa'[0/39] Lower quantum number Ka'phys.atmol.qn;stat.minintKc'[0/98] Lower quantum number Kc'phys.atmol.qn;stat.minintF'[0/5]? Lower quantum number F'phys.atmol.qnintnullableFreq[4403.5/904305] Observed frequencyMHzem.freqdoublee_Freq[0/0.1] Assumed experimental uncertaintyMHzstat.errorfloatO-C[-0.6/0.6] Residual; observed minus calculated valueMHzstat.fit.residualfloatIw[0.04/5.3] Intensity weighting for blended lines (Iw=1.0 for non-blended lines)stat.weightfloatJ/ApJ/777/120/table3Result of the fit for the ground state of gauche allyl isocyaniderecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintv"[0/2] Upper quantum number v"phys.atmol.qn;stat.maxintJ"[1/99] Upper quantum number J"phys.atmol.qnintKa"[0/39] Upper quantum number Ka"phys.atmol.qn;stat.maxintKc"[0/99] Upper quantum number Kc"phys.atmol.qn;stat.maxintF"[0/6]? Upper quantum number F"phys.atmol.qnintnullablev'[0/2] Lower quantum number v'phys.atmol.qn;stat.minintJ'[0/98] Lower quantum number J'phys.atmol.qn;stat.minintKa'[0/39] Lower quantum number Ka'phys.atmol.qn;stat.minintKc'[0/98] Lower quantum number Kc'phys.atmol.qn;stat.minintF'[0/5]? Lower quantum number F'phys.atmol.qnintnullableFreq[4403.5/904305] Observed frequencyMHzem.freqdoublee_Freq[0/0.1] Assumed experimental uncertaintyMHzstat.errorfloatO-C[-0.6/0.6] Residual; observed minus calculated valueMHzstat.fit.residualfloatIw[0.04/5.3] Intensity weighting for blended lines (Iw=1.0 for non-blended lines)stat.weightfloat