Fig. A.1

Structure and DFT computed 5–15 μm vibrational infrared spectra of a selection of PAHs. PAHs are a class of carbonaceous molecules that form a skeleton where carbon atoms are arranged in a honeycomb structure with hydrogen atoms sitting on the periphery. Additional atoms, such as nitrogen, also can be present in the skeleton. For each species, the chemical formula, simple name (if it exists), and the corresponding mid-IR spectrum calculated by DFT at 0 K are given. All data are taken from the NASA Ames PAH IR Spectroscopic Database (Bauschlicher et al. 2010; Boersma et al. 2014).
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.