Far-ir Pah Spectroscopy And The Identification Of An Individual Astronomical Pah Molecule

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Polycyclic Aromatic Hydrocarbons (PAHs) are widespread across the Universe and influence many stages of the Galactic lifecycle. The presence of PAHs has been well established and the rich mid-IR PAH spectrum is now commonly used as a probe into inter(stellar) environments. With a new spectral window opening up in the far-IR, the quest for identifying a unique member of the interstellar PAH family has begun. To guide this search, the far-IR (> 20 μm) spectra of different sets of PAHs are investigated using the NASA Ames PAH IR Spectroscopic Database - a large coherent set (> 600 spectra) of laboratory measured and DFT computed infrared spectra of PAHs from C10H8 to C130H28. These sets explore the influence of size, shape, charge and composition on the far-IR PAH spectrum.
The far-IR is the domain of the so- called `drumhead’ modes and other molecular vibrations involving low order bending vibrations of the carbon skeleton as a whole. As for drums, these modes are considered to be very molecule and shape specific and promise to be a key diagnostic for specific PAHs. Here, the sensitivity of these `drumhead’ modes to size and shape is assessed by comparing the frequencies of the lowest drumhead modes of a family of circular shaped (the coronene `family') and rhombus shaped (the pyrene `family') PAH molecules.
From the study of the far-IR PAH spectra of different sets as well as from the analysis of the `drumhead’ modes, some suggestions for an observing strategy are made.

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