Infrared Spectrum of the Pyrene Anion in the CH Stretching Region

Salzmann, Heinrich; McCoy, Anne B.; Weber, J. Mathias

doi:10.1021/acs.jpca.4c00966

Title: Infrared Spectrum of the Pyrene Anion in the CH Stretching Region

Journal Article · 16 May 2024 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI: https://doi.org/10.1021/acs.jpca.4c00966 · OSTI ID:2368851

Salzmann, Heinrich ^[1];

^[2];

^[3]

Univ. of Colorado, Boulder, CO (United States); University of Colorado Boulder
Univ. of Washington, Seattle, WA (United States)
Univ. of Colorado, Boulder, CO (United States)

In this work, we report the infrared spectrum of pyrene anion, measured using messenger tagging with up to three Ar atoms. We assign the spectrum using density functional theory and vibrational perturbation theory. Additionally, 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 whether PAH anions could contribute to the strong infrared emission bands at 3.29 μm from carbon- rich regions of space.

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Research Organization:: Univ. of Colorado, Boulder, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0021387

OSTI ID:: 2368851

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 21 Vol. 128; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
79 ASTRONOMY AND ASTROPHYSICS
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hydrocarbons
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vibrational spectroscopy

Title: Infrared Spectrum of the Pyrene Anion in the CH Stretching Region

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