Abstract
The far-infrared (FIR) spectra of several Mg+-PAH species are studied using density functional theory. The Mg+-PAH stretching mode, regardless of the polycyclic aromatic hydrocarbon (PAH) species, carries a reasonable intensity and tends to fall in a narrow range near 40 μm. Because the bands tend to fall at very similar frequencies, the average spectra of several Mg+-PAH species produce a broadband with an intensity that is about 20% of the well known C-H out-of-plane bending mode. In contrast, an average of seven large compact pure PAHs has no FIR bands that carry any significant intensity.
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