Abstract
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. We discuss our results in the context of computed and experimental spectra from the literature as well as recent observations from astronomical sources, showing that PAH anions could contribute to the strong infrared emission bands at 3.29 micrometers from carbon rich regions of space.
Supplementary materials
Title
Supporting Information
Description
Dependence of the Py-·Arn spectra on the number of Ar atoms, n; atomic coordinates of Py-; Comments on Intensity Problems in Vibrational Perturbation Theory
Actions
Title
Vibrational analysis
Description
Vibrational analysis
Actions