Spectroscopic Study of Anisotropic Excitons in Single Crystal Hexacene

J Phys Chem Lett. 2014 Nov 6;5(21):3632-5. doi: 10.1021/jz501693g. Epub 2014 Oct 10.

Abstract

The linear optical response of hexacene single crystals over a spectral range of 1.3-1.9 eV was studied using polarization-resolved reflectance spectroscopy at cryogenic temperatures. We observe strong polarization anisotropy for all optical transitions. Pronounced deviations from the single-molecule, solution-phase spectra are present, with a measured Davydov splitting of 180 meV, indicating strong intermolecular coupling. The energies and oscillator strengths of the relevant optical transitions and polarization-dependent absorption coefficients are extracted from quantitative analysis of the data.

Keywords: Davydov splitting; hexcene; linear acene; solution-phase; spectroscopy.