Exploring the Scaling Factors for Infrared Modes of PANHs – A Case Study on Cationic 3‐Azafluoranthene⋅+ and Protonated 3‐Azafluoranthene**
Domenik Schleier,
Jerry Kamer,
Jonathan Martens
et al.
Abstract:Infrared (IR) emission bands by interstellar Polycyclic Aromatic Hydrocarbons (PAHs) and Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are observed towards a large variety of interstellar objects and offer detailed insights into the chemistry and physics of the interstellar medium. The analysis of the emission bands, and thus the interpretation of the molecular characteristics of the carriers, heavily relies on the use of density functional theory (DFT) calculated IR spectra. However, there are significant… Show more
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