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| Authors||H.A. Galué, O. Pirali, J. Oomens|
|Title||Gas-phase infrared spectra of cationized nitrogen-substituted polycyclic aromatic hydrocarbons|
|Journal||Astronomy and Astrophysics|
|Faculty||Faculty of Science|
|Institute/dept.||FNWI: Van 't Hoff Institute for Molecular Sciences (HIMS)|
|Abstract||Gas-phase infrared spectra of several ionized nitrogen substituted polycyclic aromatic hydrocarbons (PANHs) have been recorded in the 600–1600 cm-1 region via IR multiple-photon dissociation (IRMPD) spectroscopy. The UV photoionized PANH ions are trapped and isolated in a quadrupole ion trap where they are irradiated with an IR free electron laser. The PANHs were studied in their radical cation (PANH+) and protonated (H+PANH) forms, and include quinoline, isoquinoline, phenanthridine, benzo[h]quinoline, acridine, and dibenzo[f,h]quinoline. Experimental IRMPD spectra were interpreted with the aid of density functional theory methods. The PANH+ IR spectra are found to resemble those of their respective non-nitrogenated PAH cations. The IR spectra of H+PANHs are significantly different owing to the NH inplane bending vibration, which generally couples very well with the aromatic CH bending and CC stretching modes. Implications of the NPAH (+, H+) laboratory spectra are discussed for the astrophysical IR emissions and, in particular, for the band at 6.2 μm.|
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