J/A+A/319/318ivo://CDS.VizieR/J/A+A/319/318doi:10.26093/cds/vizier.33190318CDSPauzat F.Talbi D.Ellinger Y.1997-12-09T16:52:54Z1997-12-09T17:52:38ZCDS support team

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

cds-question@unistra.frinterstellar-mediuminfrared-astronomyspectroscopyIR spectra of anthracene and pyrene derivatives, serving as models for isolated, linear and isolated, compact PAHs, respectively, have been calculated using ab-initio quantum mechanical methods. The separate and combined effects of ionization and multiple dehydrogenation have been studied. This study confirms and refines the trends of our preliminary paper on the smallest possible PAH, naphthalene. If small PAHs are responsible for any UIR bands, they should be ionized and partially dehydrogenated, with a few triple bonds at the periphery of the carbon skeleton. In the appendix are given the complete IR spectra of all the isomers of the derivatives of anthracene and pyrene calculated for the purpose of this study. Tables I are for anthracene and Tables II for pyrene. Positions of the the missing hydrogens in the dehydrogenated species are referred as in Figures 1 and 2 of the original publication.1997A&A...319..318Phttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/319/318CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/319/318https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/319/318http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/319/318https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/319/318https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/319/318http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/319/318GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapInfrareddefaultJ/A+A/319/318/tablea1aComputed IR spectra of neutral anthracenerecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea1c(2-3) doubly-dehydrogenated Anthracene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea1d(1,2-3,4) quadri-dehydrogenated Anthracene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2aComputed IR spectra of neutral PyrenerecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2b(1-2) doubly-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2c(4-5) doubly-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2d(1,2-4,5) quadri-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2e(1,2-7,8) quadri-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2f(1,2-8,9) quadri-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea1b(1-2) doubly-dehydrogenated Anthracene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2g(1,2-11,12) quadri-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramintJ/A+A/319/318/tablea2h(4,5-11,12) quadri-dehydrogenated Pyrene IR spectrarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintSym.Symmetry representation of the vibrationstat.paramcharAttrib.Assignment of the vibration (1)meta.codecharnuNNeutral wave numbercm**-1phys.energy;phys.atmol.transitionintIntN? Neutral intensitykm/molstat.paramintnuCCation wave numbercm**-1phys.energy;phys.atmol.transitionintIntCCation intensitykm/molstat.paramint