Anne B. McCoy

Vibrational Spectraof Anionic Polycyclic AromaticHydrocarbons in the CH Stretching Region: Anthracene, Pyrene, Perylene,and Fluoranthene

Abstract The CH stretching region of the infrared spectra of polycyclic aromatic hydrocarbon radical anions (2700–3100 cm–1) is characterized by complicated band patterns that defy straightforward assignments from harmonic calculations. We compare experimental infrared photodisso...

Modeling the Effects of Fermi Resonances in the CHStretching Region of the Spectra for Polycyclic Aromatic HydrocarbonAnions

A strategy is developed for evaluating spectra of anions of polycyclic aromatic hydrocarbon (PAH) molecules. The high symmetry of these systems and the similarity of the frequencies of the CH wagging and ring distortion vibrations result in normal modes that are highly mixed in c...