Abstract
The spectra of PTCDA crystals and multiple quantum wells are modeled using Frenkel and charge-transfer excitons in molecular stacks with vibronic coupling to a local mode. They correspond to intra and interchain excitations, respectively, of conjugated polymers with precisely defined chromophores and contacts. Mixed FrenkelCT vibronics with vanishing dispersion at k = 0 lead to a dimer that accounts for absorption and electroabsorption, while fluorescence indicates a delocalized Frenkel exciton with a band width of 0.28 eV. In contrast to polymer films, the model parameters for PTCDA are largely fixed by structural, molecular and solution data.
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Soos, Z.G., Hennessy, M.H. (2000). Modeling PTCDA Spectra and Polymer Excitations. In: Kajzar, F., Agranovich, M.V. (eds) Multiphoton and Light Driven Multielectron Processes in Organics: New Phenomena, Materials and Applications. NATO Science Series, vol 79. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4056-0_23
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DOI: https://doi.org/10.1007/978-94-011-4056-0_23
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