Astronomy and Astrophysics – Astronomy
Scientific paper
May 2008
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008apj...679..531r&link_type=abstract
The Astrophysical Journal, Volume 679, Issue 1, pp. 531-536.
Astronomy and Astrophysics
Astronomy
13
Ism: Lines And Bands, Ism: Molecules, Molecular Processes
Scientific paper
We present first-principle calculations which reveal the existence of low-barrier routes to molecular hydrogen formation on the polycyclic aromatic hydrocarbon (PAH) molecule coronene via Eley-Rideal abstraction reactions and show that such processes could indeed be active under interstellar conditions. The calculations indicate that in regions of low UV flux, coronene, and larger PAHs might be found in superhydrogenated states. Furthermore, the calculations imply that not only edge carbon atoms but also carbon atoms on the inner rings of the coronene molecule can be hydrogenated. Such superhydrogenated PAHs are expected to exhibit significantly changed absorption and emission spectra.
Hornekær Liv
Rauls Eva
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