Journal of Physical Chemistry A, Vol.101, No.19, 3472-3477, 1997
Infrared-Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations .4. The Tetracyclic PAH Isomers Chrysene and 1,2-Benzanthracene
The mid-infrared spectra of the polycyclic aromatic hydrocarbon (PAH) cations of the tetracyclic isomers chrysene (C18H12+) and 1,2-benzanthracene (C18H12+) are presented. As with previous PAH cations studied to date, the CC stretching and CH in-plane bending mode absorptions are about an order of magnitude stronger than the aromatic CH out-of-plane bending absorptions and nearly 2 orders of magnitude more intense than the corresponding bands in the neutral molecule. The CH bands arising from the out-of-plane bends in the cation are slightly weaker than the corresponding bands in the neutral species. The strongest cation bands of these species fall between 1300 and 1330 cm(-1), close to the peak of the most intense interstellar emission feature in HII regions and reflection nebulae. A strong PAH cation band at slightly higher frequency than 1300 cm(-1) may be associated with an asymmetric CC stretching vibration involving rings adjacent to the kink in the chain of aromatic rings.
Keywords:ISOLATED NAPHTHALENE;VIBRATIONAL-SPECTRA;ELECTRONIC-SPECTRA;RADICAL CATIONS;ANTHRACENE;TETRACENE;PENTACENE