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Infrared Spectrum of the Pyrene Anion in the CH Stretching Region
Heinrich Salzmann1, Anne B McCoy2, J Mathias Weber1
1JILA and Department of Chemistry, University of Colorado, Boulder, Colorado 80309-0440, United States.
Abstract:
In this work, we report the infrared spectrum of the pyrene anion, measured using messenger tagging with up to three Ar atoms. We assign the spectrum using density functional theory and vibrational perturbation theory. We discuss our results in the context of computed and experimental spectra from the literature as well as recent observations from astronomical sources, addressing the question of whether polycyclic aromatic hydrocarbon anions could contribute to the strong infrared emission bands at 3.29 μm from carbon-rich regions of space.
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