PAH hypothesis

DOI

IR 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.

Identifier
DOI http://doi.org/10.26093/cds/vizier.33190318
Source https://dc.g-vo.org/rr/q/lp/custom/CDS.VizieR/J/A+A/319/318
Related Identifier https://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/319/318
Related Identifier http://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/319/318
Metadata Access http://dc.g-vo.org/rr/q/pmh/pubreg.xml?verb=GetRecord&metadataPrefix=oai_b2find&identifier=ivo://CDS.VizieR/J/A+A/319/318
Provenance
Creator Pauzat F.; Talbi D.; Ellinger Y.
Publisher CDS
Publication Year 1997
Rights https://cds.unistra.fr/vizier-org/licences_vizier.html
OpenAccess true
Contact CDS support team <cds-question(at)unistra.fr>
Representation
Resource Type Dataset; AstroObjects
Discipline Astrophysics and Astronomy; Interdisciplinary Astronomy; Interstellar medium; Natural Sciences; Observational Astronomy; Physics