TY - JOUR
AU - Heinrich Salzmann
AU - Anne McCoy
AU - Mathias Weber
AB - 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.
BT - The Journal of Physical Chemistry A
DA - 2024-05
DO - 10.1021/acs.jpca.4c00966
IS - 21
M3 - doi: 10.1021/acs.jpca.4c00966
N1 - doi: 10.1021/acs.jpca.4c00966
N2 - 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.
PB - American Chemical Society
PY - 2024
SN - 1089-5639
SP - 4225
EP - 4232
EP - 
T2 - The Journal of Physical Chemistry A
TI - Infrared Spectrum of the Pyrene Anion in the CH Stretching Region
UR - https://doi.org/10.1021/acs.jpca.4c00966
VL - 128
ER -