J/MNRAS/479/3002ivo://CDS.VizieR/J/MNRAS/479/3002doi:10.26093/cds/vizier.74793002CDSOwens A.Yachmenev A.Thiel W.Fateev A.Tennyson J.Yurchenko S.N.2024-08-18T20:20:38Z2018-07-16T08:24:17ZCDS support team

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

cds-question@unistra.fratomic-physicsComprehensive rotation-vibration line lists in the form of temperature-dependent super-lines are presented for the two main isotopologues of methyl chloride, ^12^CH_3_^35^Cl and ^12^CH_3_^37^Cl. The line lists, OYT-35 and OYT-37, are suitable for temperatures up to T=1200K and consider transitions with rotational excitation up to J=85 the wavenumber range 0-6400cm^-1^ (wavelengths {lambda}>1.56um). Over 166 billion transitions between 10.2 million energy levels have been calculated variationally for each line list using a new empirically refined potential energy surface, determined by refining to 739 experimentally derived energy levels up to J=5, and an established ab initio dipole moment surface. The OYT line lists show excellent agreement with newly measured high-temperature infrared absorption cross-sections, reproducing both strong and weak intensity features across the spectrum. The line lists are also available from the ExoMol database.2018MNRAS.479.3002Ohttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/MNRAS/479/3002CatalogResearchIsServedByTAP VizieR generic servicerelated-toJ/MNRAS/425/34 : ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012)J/MNRAS/434/1469 : ExoMol line lists for SiO (Barton+, 2013)J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)J/MNRAS/440/1649 : ExoMol line lists for CH4 (Yurchenko+, 2014)J/MNRAS/442/1821 : ExoMol line list for KCl (Barton+, 2014)J/MNRAS/445/1383 : ExoMol line list for phosphorus nitride (PN) (Yorke+, 2014)J/MNRAS/446/2337 : ExoMol line lists for phosphine (PH_3_) (Sousa-Silva+, 2015)J/MNRAS/448/1704 : ExoMol line lists for formaldehyde H_2_CO (Al-Refaie+, 2015)J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)J/MNRAS/451/634 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)J/MNRAS/452/1702 : ExoMol line lists for HNO3 (Pavlyuchko+, 2015)J/MNRAS/454/1931 : ExoMol line lists for CS isotopologues (Paulose+, 2015)J/MNRAS/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)J/MNRAS/459/3890 : ExoMol line lists for SO2 (Underwood+, 2016)J/MNRAS/461/1012 : ExoMol line lists for H216O2 (Al-Refaie+, 2016)J/MNRAS/462/4300 : ExoMol XVII: SO3 (Underwood+, 2016)J/MNRAS/463/771 : ExoMol. VO high-temperature spectrum (McKemmish+, 2016)J/MNRAS/466/1363 : ExoMol line list for H218O and H217O (Polyansky+, 2017)J/MNRAS/468/1717 : ExoMol molecular line lists for H3+ (Mizus+, 2017)J/MNRAS/470/882 : ExoMol Line List XXI: Nitric Oxide (NO) (Wong+, 2017)J/MNRAS/471/5025 : ExoMol line lists for ^28^SiH_4_ (Owens+, 2017)J/MNRAS/473/5324 : ExoMol line lists. XXIV. SiH (Yurchenko+, 2018)https://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/MNRAS/479/3002https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/MNRAS/479/3002http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/MNRAS/479/3002https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/MNRAS/479/3002https://vizier.iucaa.in/viz-bin/votable?-source=J/MNRAS/479/3002http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/MNRAS/479/3002GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/MNRAS/479/3002/states35Labelled ro-vibrational states for ^12^CH_3_^35^Cl (CH3Cl-35)recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintiState ID, non-negative integer index, starting at 1meta.idEState energy term value in cm^-1^cm**-1phys.energy;phys.atmol.leveldoublegTotal state degeneracyphys.electron.degenintJ[0/85] J-quantum number J$ is the total angular momentum excluding nuclear spinmeta.number;phys.atmol.sWeight.nuclearintG[1/3] Total symmetry in C3v(M), Gamma=A1,A2,Ephys.atmol.parityintn1[0/12] TROVE QN C-Cl local model stretchphys.atmol.qnintn2[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn3[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn4[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn5[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn6[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn7[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn8[0/12] TROVE QN HCH local mode bendphys.atmol.qnintn9[0/12] TROVE QN HCH local mode bendphys.atmol.qnintGv[1/3] Vib component symmetry in C3v(M)phys.atmol.parityintJ1[0/85] J is the total angular momentum excluding nuclear spinphys.atmol.sWeight.nuclearintK[0/85] Projection of J on axis of molec. symmetrymeta.noteintPr[0/1] Rotational parity tau(rot)phys.atmol.parityintGr[1/3] C3v(M) rot. symmetry Gamma(v) (local mode)phys.atmol.parityintC2[0/1] Largest coefficientphys.atmolfloatJ/MNRAS/479/3002/states37Labelled ro-vibrational states for ^12^CH_3_^37^Cl (CH3Cl-37)recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintiState ID, non-negative integer index, starting at 1meta.idEState energy term value in cm^-1^cm**-1phys.energy;phys.atmol.leveldoublegTotal state degeneracyphys.electron.degenintJ[0/85] J-quantum number J$ is the total angular momentum excluding nuclear spinmeta.number;phys.atmol.sWeight.nuclearintG[1/3] Total symmetry in C3v(M), Gamma=A1,A2,Ephys.atmol.parityintn1[0/12] TROVE QN C-Cl local model stretchphys.atmol.qnintn2[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn3[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn4[0/6] TROVE QN C-H local model stretchphys.atmol.qnintn5[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn6[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn7[0/12] TROVE QN ClCH local mode bendphys.atmol.qnintn8[0/12] TROVE QN HCH local mode bendphys.atmol.qnintn9[0/12] TROVE QN HCH local mode bendphys.atmol.qnintGv[1/3] Vib component symmetry in C3v(M)phys.atmol.parityintJ1[0/85] J is the total angular momentum excluding nuclear spinphys.atmol.sWeight.nuclearintK[0/85] Projection of J on axis of molec. symmetrymeta.noteintPr[0/1] Rotational parity tau(rot)phys.atmol.parityintGr[1/3] C3v(M) rot. symmetry Gamma(v) (local mode)phys.atmol.parityintC2[0/1] Largest coefficientphys.atmolfloatJ/MNRAS/479/3002/cs_expExperimental cross sections (cm^2^/molecule) of CH3Cl for T=25C, 300C, 400C, 500C, log10-convention at natural abundance, grid of 0.5cm^-1^recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintnuWavenumbercm**-1phys.energy;phys.atmol.transitiondoubleCS25Cross sections for T= 25Ccm**2.mol**-1phys.atmol.crossSectiondoubleCS300Cross sections for T=300Ccm**2.mol**-1phys.atmol.crossSectiondoubleCS400Cross sections for T=400Ccm**2.mol**-1phys.atmol.crossSectiondoubleCS500Cross sections for T=500Ccm**2.mol**-1phys.atmol.crossSectiondouble