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Electronic Absorption Spectra of Protonated Pyrene and Coronene in Neon Matrixes

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Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, PL-02668 Warsaw, Poland
§ School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom
E-mail: [email protected]. Tel.: +41 61 267 38 26. Fax: +41 61 267 38 55.
Cite this: J. Phys. Chem. A 2011, 115, 40, 10972–10978
Publication Date (Web):August 23, 2011
https://doi.org/10.1021/jp206188a
Copyright © 2011 American Chemical Society

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    Abstract

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    Protonated pyrene and coronene have been isolated in 6 K neon matrixes. The cations were produced in the reaction of the parent aromatics with protonated ethanol in a hot-cathode discharge source, mass selected, and co-deposited with neon. Three electronic transitions of the most stable isomer of protonated pyrene and four of protonated coronene were recorded. The strongest, S1 ← S0 transitions, are in the visible region, with onset at 487.5 nm for protonated pyrene and 695.6 nm for protonated coronene. The corresponding neutrals were also observed. The absorptions were assigned on the basis of ab initio coupled-cluster and time-dependent density functional theory calculations. The astrophysical relevance of protonated polycyclic aromatic hydrocarbons is discussed.

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