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  • Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), andQuaterrylene (C40H20) and Their Positive and Negative Ions: Ne Matrix-IsolationSpectroscopy and Time-Dependent Density Functional Theory Calculations
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  • We present an experimental and theoretical study of an interesting series of polycyclic aromatic hydrocarbons,the oligorylenes. The absorption spectra of perylene, terrylene, and quaterrylene in neutral, cationic, andanionic charge states are obtained by matrix-isolation spectroscopy in Ne. The experimental spectra aredominated by a bright state that red shifts with growing molecular size. Excitation energies and state symmetryassignments for this state are obtained by calculations using time-dependent density functional theory methods.These calculations also provide additional information and insight into the trends in oscillator strength andexcitation energy for the bright states: in particular, the oscillator strength per unit mass of carbon increasesalong the series.
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