J/A+A/623/A162ivo://CDS.VizieR/J/A+A/623/A162doi:10.26093/cds/vizier.36230162CDSMotiyenko R.A.Armieieva I.A.Margules L.Alekseev E.A.Guillemin J.-C.2019-03-26T12:40:37Z2019-03-26T07:41:53ZCDS support team

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

cds-question@unistra.fratomic-physicsinterstellar-mediummillimeter-astronomysubmillimeter-astronomyNitriles constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds may be partially explained by the lack of accurate spectroscopic data on their rotational spectra. Two small seven-atom dinitriles, malononitrile NCCH_2_CN and isocyanoacetonitrile NCCH_2_NC, were chosen as target species for this study. For malononitrile the goal of the study is to systematize all the previous measurements, and to extend the measurements to the sub-millimeter wavelength range. The spectrum of isocyanoacetonitrile has not been studied before. The rotational spectra of the two molecules was measured in the frequency range 150-660GHz using the Lille fast-scan spectrometer. The spectroscopic study was supported by high-level theoretical calculations on the structure of these molecules and their harmonic force field. Accurate frequency predictions for malononitrile and isocyanoacetonitrile were calculated on the basis of the analysis of their rotational spectra. The influence of the spin statistics on the intensities of the lines of malononitrile was taken into account. The provided line lists and sets of molecular parameters meet the needs of astrophysical searches for the two molecules.2019A&A...623A.162Mhttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/623/A162CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/623/A162https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/623/A162http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/623/A162https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/623/A162https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/623/A162http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/623/A162GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapMillimeterdefaultJ/A+A/623/A162/tablea1Predicted rotational transitions of the v=0 state of malononitrile at T=300KrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper J quantum numberinstr.det.qe;stat.maxintKa'Upper Ka quantum numberphys.atmol.qn;stat.maxintKc'Upper Kc quantum numberphys.atmol.qn;stat.maxintJ"Lower J quantum numberinstr.det.qe;stat.minintKa"Lower Ka quantum numberphys.atmol.qn;stat.minintKc"Lower Kc quantum numberphys.atmol.qn;stat.minintFreqCalculated transition frequencyMHzem.freq;phys.atmol.transition;meta.modelleddoubleO-CUncertainty of pcalculated transition frequencyMHzstat.error;em.freq;phys.atmol.transitiondoublelogIntBase 10 logarithm of the integrated intensitylog(nm**2.MHz)spect.line.intensitydoubleEloThe energy of the lower statecm**-1phys.energy;phys.atmol.leveldoubleJ/A+A/623/A162/tablea2Predicted rotational transitions of the v=0 state of isocyanoacetonitrile at T=300KKa"Lower Ka quantum numberphys.atmol.qn;stat.minintKc"Lower Kc quantum numberphys.atmol.qn;stat.minintrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper J quantum numberinstr.det.qe;stat.maxintKa'Upper Ka quantum numberphys.atmol.qn;stat.maxintKc'Upper Kc quantum numberphys.atmol.qn;stat.maxintJ"Lower J quantum numberinstr.det.qe;stat.minintFreqCalculated transition frequencyMHzem.freq;phys.atmol.transition;meta.modelleddoubleO-CUncertainty of pcalculated transition frequencyMHzstat.error;em.freq;phys.atmol.transitiondoublelogIntBase 10 logarithm of the integrated intensitylog(nm**2.MHz)spect.line.intensitydoubleEloThe energy of the lower statecm**-1phys.energy;phys.atmol.leveldoubleJ/A+A/623/A162/tablea3Predicted rotational transitions of the v=0 state of malononitrile at T=300K including the nuclear quadrupole hyperfine structurerecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper J quantum numberinstr.det.qe;stat.maxintKa'Upper Ka quantum numberphys.atmol.qn;stat.maxintKc'Upper Kc quantum numberphys.atmol.qn;stat.maxintI'Upper I quantum numberphys.atmol.qnintF'Upper F quantum numberphys.atmol.qnintJ"Lower J quantum numberinstr.det.qe;stat.minintKa"Lower Ka quantum numberphys.atmol.qn;stat.minintKc"Lower Kc quantum numberphys.atmol.qn;stat.minintI"Lower I quantum numberphys.atmol.qnintF"Lower F quantum numberphys.atmol.qnintFreqCalculated transition frequencyMHzem.freq;phys.atmol.transition;meta.modelleddoubleO-CUncertainty of calculated transition frequencyMHzstat.error;em.freq;stat.fit.omcdoublelogIntBase 10 logarithm of the integrated intensitylog(nm**2.MHz)spect.line.intensitydoubleEloThe energy of the lower statecm**-1phys.energy;phys.atmol.leveldouble