Electron-phonon coupling in anthracene-pyromellitic dianhydride

Derek Vermeulen, Nathan Corbin, Katelyn P. Goetz, Oana D. Jurchescu, Veaceslav Coropceanu, L. E. McNeil

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

In this study, the electron-phonon coupling constants of the mixed-stack organic semiconductor anthracene-pyromellitic dianhydride (A-PMDA) are determined from experimental resonant Raman and absorption spectra of the charge transfer (CT) exciton using a time-dependent resonant Raman model. The reorganization energies of both intermolecular and intramolecular phonons are determined and compared with theoretical estimates derived from density functional theory calculations; they are found to agree well. We found that the dominant contribution to the total reorganization energy is due to intramolecular phonons, with intermolecular phonons only contributing a small percentage. This work goes beyond prior studies of the electron-phonon coupling in A-PMDA by including the coupling of all Raman-active phonons to the charge transfer exciton. The possibility of orientational disorder in A-PMDA at 80 K is inferred from the inhomogeneous broadening of the absorption line shape.

Original languageEnglish (US)
Article number214705
JournalJournal of Chemical Physics
Volume146
Issue number21
DOIs
StatePublished - Jun 7 2017
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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