Astronomy and Astrophysics – Astrophysics
Scientific paper
Nov 2002
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2002nla..work..135m&link_type=abstract
NASA Laboratory Astrophysics Workshop, held May 1-3 2002 at NASA Ames Research Center, Moffett Field, CA 94035-1000. Publisher:
Astronomy and Astrophysics
Astrophysics
Scientific paper
The mid-infrared spectra of the nitrogen-containing heterocyclic polycyclic aromatic compounds 1-azabenz[a]-anthracene ; 2-azabenz[a]anthracene; 1-azachrysene; 2-azachrysene; 4-azachrysene; 2-azapyrene, and 7, 8 benzoquinoline in their neutral and cation forms were investigated. The spectra of these species isolated in an argon matrix have been measured. Band frequencies and intensities were tabulated and these data compared with spectra computed using density functional theory at the B3LYP level. The overall agreement between experiment and theory is quite good, in keeping with earlier results on homonuclear polycyclic aromatic hydro- carbons. The differences between the spectral properties of nitrogen bearing aromatics and non-substituted, neutral polycyclic aromatic hydrocarbons will be discussed.
Allamandola Louis J.
Bauschlicher Charles W.
Biemesderfer C. D.
Hudgins Douglas M.
Mattioda Andrew L.
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