The mixing of Frenkel- and charge-transfer excitons in 1D structures: application to PTCDA and MePTCDI

Research output: Contribution to book/Conference proceedings/Anthology/ReportChapter in book/Anthology/ReportContributedpeer-review

Contributors

Abstract

The exciton structure of crystalline PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) and MePTCDI (N-N'-dimethylperylene-3,4,9, 10-dicarboximide) is modeled by a one-dimensional Hamiltonian, which includes interactions between Frenkel excitons with several vibronic levels and charge transfer excitons. With appropriate fitting parameters, which are verified by quantum chemical calculations, this model can explain the main features of the low temperature absorption spectra. Polarized absorption spectra of MePTCDI show different polarization ratios for the various peaks. This polarization behavior is explained by the varying contribution of the CT transition dipole, which has a direction different from the Frenkel transition dipole.

Details

Original languageGerman
Title of host publicationMultiphoton and Light Driven Multielectron Processes in Organics: New Phenomena, Materials and Applications
EditorsFrançois Kajzar, M. Vladimir Agranovich
Place of PublicationDordrecht
PublisherSpringer, Dordrecht [u. a.]
Pages123-134
Number of pages4
Volume79
ISBN (electronic)978-94-011-4056-0
ISBN (print)978-0-7923-6271-5, 978-0-7923-6272-2
Publication statusPublished - 2000
Peer-reviewedYes

Publication series

SeriesNATO Science Partnership Subseries: 3

Keywords

Keywords

  • Films