A triplet ground state for cationic polyaromatic hydrocarbons after hydrogen loss

Astronomy and Astrophysics – Astronomy

Scientific paper

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Scientific paper

i-system into the empty σ-orbital, although this compromises the aromaticity of the system and leads to a triplet state. While a singlet state has now been firmly established for the phenyl cation, the stability of the triplet in larger polyaromatic species increases as result of the growing %B i-system, thus reducing the energy required to transfer an electron to the empty σ-orbital. Observation of the triplet state of isolated naphthyl+, phenanthyl+ and pyrenyl+ systems is undertaken by IR multiple-photon dissociation (IRMPD) spectroscopy using a tunable free electron laser. The establishment of a triplet ground state for these PAH species possibly invokes new scenarios to be considered, such as regarding the triplet-state chemistry of PAH molecules and the altered optical properties. After reviewing the experimental aspects of this work, possible consequences of a triplet ground state of PAH species are briefly outlined.

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