PAH Anions in Circumstellar and Interstellar Environments

Details PAH Anions in Circumstellar and Interstellar Environments PAH Anions in Circumstellar and Interstellar Environments

May 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011iaus..280p.191h&link_type=abstract

The Molecular Universe, Posters from the proceedings of the 280th Symposium of the International Astronomical Union held in Tole

Astronomy and Astrophysics

Astronomy

Scientific paper

Calculations of electronic, vibrational and rotational spectra are presented for several deprotonated PAH structures using DFT and TDDFT. These closed shell anionic structures are analogous to the deprotonated acetylenic chains recently observed by radioastronomy. Being more chemically stable than their open shell counterparts, they are good candidates for the negatively charged PAHs that are included in some chemical models of the ISM.

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