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Proceedings Paper

Vibronic model of PTCDA stacks: fluorescence and relaxation energies
Author(s): M. H. Hennessy; R. A. Pascal Jr.; Zoltan G. Soos
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Paper 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.

Paper Details

Date Published: 17 December 1999
PDF: 12 pages
Proc. SPIE 3797, Organic Light-Emitting Materials and Devices III, (17 December 1999); doi: 10.1117/12.372700
Show Author Affiliations
M. H. Hennessy, Princeton Univ. (United States)
R. A. Pascal Jr., Princeton Univ. (United States)
Zoltan G. Soos, Princeton Univ. (United States)

Published in SPIE Proceedings Vol. 3797:
Organic Light-Emitting Materials and Devices III
Zakya H. Kafafi, Editor(s)

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