Extended Data Fig. 6: Experimental IRMPD infrared spectrum of m/z 104 (grey) and comparison with scaled harmonic infrared spectra of different C7H6N+ isomers (coloured sticks). | Nature Astronomy

Extended Data Fig. 6: Experimental IRMPD infrared spectrum of m/z 104 (grey) and comparison with scaled harmonic infrared spectra of different C7H6N+ isomers (coloured sticks).

From: Low-temperature nitrogen-bearing polycyclic aromatic hydrocarbon formation routes validated by infrared spectroscopy

Extended Data Fig. 6

The vibrational frequencies have been calculated for (a) 2-ethynyl-H-pyridine+ (Ca-7, red sticks), (b) N-ethynyl-pyridine+ (N-6, blue sticks) and (c) 3 and 4-ethynyl-H-pyridine+ (green and orange sticks, respectively) at the B3LYP/N07D-GD3 level of theory. The assigned structure for m/z 104 is shown in panel (a).

Back to article page