Statistics – Computation
Scientific paper
May 2007
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007sptz.prop40131a&link_type=abstract
Spitzer Proposal ID #40131
Statistics
Computation
Scientific paper
The Ames Astrochemistry Laboratory now has PAH IR spectra of more than 220 laboratory measured and over 600 theoretically calculated IR spectra of polycyclic aromatic hydrocarbons (PAHs) in a multitude of forms. The vast majority of these spectra are not readily accessible to the public. We propose to make the full collection of the Ames experimental and computational collection of PAH IR spectra available to the entire Spitzer community and accessible via the World Wide Web (WWW). The laboratory measured mid-IR spectral collection includes over 220 neutral, cationic, and anionic PAHs, PAHs with deuterium in place of hydrogen, PAHs containing oxygen, and PAHs containing nitrogen (PANHs). The formulae of the PAHs in the experimental data collection range from C10H8 to C50H22. Unfortunately, it is not possible to obtain physical samples of all of the types of PAHs that are of astrophysical interest for experimental study. We also have an extensive collection of accurate computational spectra to fill in gaps in the experimentally available spectra. Our theoretical PAH spectral collection includes very large PAHs, PAHs containing 40 to 132 carbon atoms which are comparable to the size of the PAHs thought to dominate the interstellar emission spectrum. Large PAHs might be multiply charged and these are also represented in the theoretical database. There is also observational evidence for PAH cations with nitrogen in the inner rings (PANHs) and interest in the spectroscopy of aromatic species containing oxygen and deuterium as well as PAH metal clusters. All of these types of PAHs are represented in the Ames computational PAH IR spectroscopic collection. If funded, we plan to make our entire inventory of the lab spectra available to the Spitzer community within the next two years.
Allamandola Louis
Bauschlicher Charlie Jr.
Mattioda Andrew
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