The Infrared Spectra Of Very Large Polycyclic Aromatic Hydrocarbons (PAHs): The Case For Anions In The Astronomical Pah Population.

Details The Infrared Spectra Of Very Large Polycyclic Aromatic Hydrocarbons (PAHs): The Case For Anions In The Astronomical Pah Population. The Infrared Spectra Of Very Large Polycyclic Aromatic Hydrocarbons (PAHs): The Case For Anions In The Astronomical Pah Population.

Jan 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009aas...21330506p&link_type=abstract

American Astronomical Society, AAS Meeting #213, #305.06; Bulletin of the American Astronomical Society, Vol. 41, p.275

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The mid-infrared spectra of very large PAHs, ranging in size from C54H18 to C130H28, have been determined computationally using Density Functional Theory. The spectra presented here are the first for PAHs that match the size of the interstellar species. These large PAHs fall in two groups based on molecular structure: compact PAHs and PAHs with similar core structures but irregular edge structures. Band positions and intensities as a function of PAH size, charge and geometry are summarized.
These data provide important new information about the IR spectroscopic properties of large PAHs in general, significantly deepening our understanding of the astronomical PAH population over that learned from the earlier studies which focused on PAHs less than half the size. The differences between the spectral properties of large and small PAHs can be significant.
There are three major conclusions from this work.
1-Both small and large PAHs are required to reproduce the details and variations observed in the astronomical PAH emission spectra.
2- Surprisingly strong constraints can be placed on the types of edge structures that decorate the astronomical PAH population regardless of size.
3-This work shows the important contribution of PAH anions to all the major PAH emission features.
Taken together, these spectra will impact our understanding of PAHs and the emission regions 'close' to home in the Milky Way to PAH-rich regions in distant redshifted galaxies.

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