Electron-phonon coupling in anthracene-pyromellitic dianhydride.

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.