Vibronic model of PTCDA stacks: fluorescence and relaxation energies

M. H. Hennessy; R. A. Pascal Jr.; Zoltan G. Soos

doi:10.1117/12.372700

17 December 1999 Vibronic model of PTCDA stacks: fluorescence and relaxation energies

M. H. Hennessy, R. A. Pascal Jr., Zoltan G. Soos

Proceedings Volume 3797, Organic Light-Emitting Materials and Devices III; (1999) https://doi.org/10.1117/12.372700
Event: SPIE's International Symposium on Optical Science, Engineering, and Instrumentation, 1999, Denver, CO, United States

Abstract

Face-to-face stacks of PTCDA molecules in films and multiple quantum wells are modeled using Frenkel and charge-transfer excitons that are coupled to a characteristic molecular vibration. The intensity and vibronic structure of film fluorescence are extensions of the mixed Frenkel-CT model for absorption and electroabsorption. Ab initio relaxation energies of PTCDA excited states and molecular ions provide independent estimates of model parameters, while the (pi) - (pi) * transition dipole gives the hopping integral J. PTCDA's close connections to conjugated hydrocarbons and its structural and electronic simplicity are emphasized.

Citation Download Citation

M. H. Hennessy, R. A. Pascal Jr., and Zoltan G. Soos "Vibronic model of PTCDA stacks: fluorescence and relaxation energies", Proc. SPIE 3797, Organic Light-Emitting Materials and Devices III, (17 December 1999); https://doi.org/10.1117/12.372700

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