J/A+A/619/A140ivo://CDS.VizieR/J/A+A/619/A140doi:10.26093/cds/vizier.36190140CDSVigorito A.Calabrese C.Melandri S.Caracciolo A.Mariotti S.,Giannetti A.Massardi M.Maris A.2018-11-23T11:33:28Z2018-11-16T08:58:18ZCDS support team

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

cds-question@unistra.fratomic-physicsradio-spectroscopyThe continuously enhanced sensitivity of radioastronomical observations allows the detection of increasingly complex organic molecules. These systems often exist in a large number of isomers leading to very congested spectra. We explore the conformational space of 1,2-butanediol and provide sets of spectroscopic parameters to facilitate searches for this molecule at millimeter wavelengths. We recorded the rotational spectrum of 1,2-butanediol in the 59.6-103.6GHz frequency region (5.03-2.89mm) using a free-jet millimeter-wave absorption spectrometer, and we analyzed the properties of 24 isomers with quantum chemical calculations. Selected measured transition lines were then searched on publicly available ALMA Band 3 data on IRAS 16293-2422 B. We assigned the spectra of six conformers, namely aG'Ag, gG'Aa, g'G'Ag, aG'G'g, aG'Gg, and g'GAa, to yield the rotational constants and centrifugal distortion constants up to the fourth or sixth order. The most intense signal belong to the aG'Ag species, that is the global minimum. Search for the corresponding 30_x,30_-29_x,29_ transition lines toward IRAS 16293-2422 B was unsuccessful. Our present data will be helpful for identifying 1,2-butanediol at millimeter wavelengths with radio telescope arrays. Among all possible conformers, first searches should be focused on the aG'Ag conformers in the 400-800GHz frequency spectral range.2018A&A...619A.140Vhttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/619/A140CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/619/A140https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/619/A140http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/619/A140https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/619/A140https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/619/A140http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/619/A140GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapMillimeterdefaultJ/A+A/619/A140/table4Assignments, measured line positions and least-squares residuals for the analysed transitions of the gG'G'a conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table5Assignments, measured line positions and least-squares residuals for the analysed transitions of the aG'Gg conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table6Assignments, measured line positions and least-squares residuals for the analysed transitions of the g'GAa conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table7*Predicted rest frequencies and Einstein's A coeff. of the aG'Ag conformer of 1,2-butanediol.recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKaLower state rotational quantum number Kaphys.atmol.qnintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatGupUpper state degeneracy Gupphys.electron.degenintEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdoubleJ/A+A/619/A140/table8*Predicted rest frequencies and Einstein's A coeff. of the g'G'Ag conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKaLower state rotational quantum number Kaphys.atmol.qnintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatGupUpper state degeneracy Gupphys.electron.degenintEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdoubleJ/A+A/619/A140/table9*Predicted rest frequencies and Einstein's A coeff. of the gG'Aa conformer of 1,2-butanediolKaLower state rotational quantum number Kaphys.atmol.qnintrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatGupUpper state degeneracy Gupphys.electron.degenintEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdoubleJ/A+A/619/A140/table10*Predicted rest frequencies and Einstein's A coeff. of the gG'G'a conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKaLower state rotational quantum number Kaphys.atmol.qnintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatGupUpper state degeneracy Gupphys.electron.degenintEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdoubleJ/A+A/619/A140/table11*Predicted rest frequencies and Einstein's A coeff. of the aG'Gg conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKaLower state rotational quantum number Kaphys.atmol.qnintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatGupUpper state degeneracy Gupphys.electron.degenintEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdoubleJ/A+A/619/A140/table1Assignments, measured line positions and least-squares residuals for the analysed transitions of the aG'Ag conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table2Assignments, measured line positions and least-squares residuals for the analysed transitions of the g'G'Ag conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table3Assignments, measured line positions and least-squares residuals for the analysed transitions of the gG'Aa conformer of 1,2-butanediolrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'? Upper state rotational quantum number Ka (1)phys.atmol.qnintnullableKc'? Upper state rotational quantum number Kc (1)phys.atmol.qnintnullableJLower state rotational quantum number Jphys.atmol.configurationintKa? Lower state rotational quantum number Ka (1)phys.atmol.qnintnullableKc? Lower state rotational quantum number Kc (1)phys.atmol.qnintnullableFreqObsExperimental rest frequencyMHzem.freqdoubleO-CObserved value minus calculated valueMHzstat.fit.residualdoubleJ/A+A/619/A140/table12*Predicted rest frequencies and Einstein's A coeff. of the g'GAa conformer of 1,2-butanediolGupUpper state degeneracy Gupphys.electron.degenintrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper state rotational quantum number Jphys.atmol.configurationintKa'Upper state rotational quantum number Kaphys.atmol.qnintKc'Upper state rotational quantum number Kcphys.atmol.qnintJLower state rotational quantum number Jphys.atmol.configurationintKaLower state rotational quantum number Kaphys.atmol.qnintKcLower state rotational quantum number Kcphys.atmol.qnintFreqRest frequency from spectroscopic constantsMHzem.freqdoublee_FreqError of the prediction at 1-sigma levelMHzstat.errorfloatEupUpper state energy EupKphys.energy;phys.atmol.levelfloatAEinstein's A coefficients**-1phys.atmol.transProbdouble