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Title:
Theoretical studies of the absorption spectra of polycyclic aromatic hydrocarbons
Authors:
Canuto, Sylvio; Zerner, Michael C.; Diercksen, Geerd H. F.
Affiliation:
AA(Florida, University, Gainesville), AB(Florida, University, Gainesville), AC(Max-Planck-Institut für Physik und Astrophysik, Garching bei München, Germany)
Publication:
Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 377, Aug. 10, 1991, p. 150-157. Research supported by CNPq, USAF, and Fonds der Chemischen Industrie. (ApJ Homepage)
Publication Date:
08/1991
Category:
Astrophysics
Origin:
STI
NASA/STI Keywords:
Absorption Spectra, Aromatic Compounds, Cyclic Hydrocarbons, Interstellar Matter, Quantum Chemistry, Ultraviolet Spectra, Visible Spectrum
DOI:
10.1086/170343
Bibliographic Code:
1991ApJ...377..150C

Abstract

The UV-visible spectra of graphite-like fragments such as tetracene, anthanthrene, and coronene, as well as their dimers and trimers are examined using the intermediate neglect of differential overlap quantum chemical technique for comparison with the observed interstellar extinction believed to stem from graphite fragments. In general, the calculated results are in good agreement with experiment for the monomeric species which have well characterized spectra. The low-resolution interstellar extinction, however, is reproduced by several of these model systems, and in particular, a superposition of all three monomers as well as the dimers and trimers of this study at their calculated interplanar distances.

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