The H-loss products
(C
6
H
6
N
+
) from
the dissociative ionization of aniline (C
6
H
7
N) have been studied by infrared predissociation spectroscopy in
a cryogenic ion trap instrument at the free electron laser for infrared
experiments (FELIX) laboratory. Broadband and narrow line width vibrational
spectra in the spectral fingerprint region of 550–1800 cm
–1
have been recorded. The comparison to calculated
spectra of the potential isomeric structures of the fragment ions
reveals that the dominant fragments are five-membered cyano-cyclopentadiene
ions. Computed C
6
H
7
N
•+
potential
energy surfaces suggest that the dissociation path leading to H loss
starts with an isomerization process, following a similar trajectory
as the one leading to HNC loss. The possible presence of cyano-cyclopentadiene
ions and related five-membered ring species in Titan’s atmosphere
and the interstellar medium are discussed.
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