Infrared Spectrum of the Pyrene Anion in the CH Stretching Region

Author
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.

Year of Publication
2024
Date Published
2024-05
Journal Title
The Journal of Physical Chemistry A
Volume
128
Issue
21
Start Page or Article ID
4225-4232,
ISBN Number
1089-5639
DOI
URL
Download citation
JILA PI
Journal Article
JILA Topics
Publication Status