Vibronic structure of picene electronic transitions

In this Letter we reanalyze the absorption and emission spectra of picene in solution, performing a detailed analysis of the singlet electronic transitions and of their vibronic structure. A simple INDO/S semiempirical approach turns out to be very effective for the calculation of the absorption frequencies, the relevant oscillator strengths and Huang–Rhys factors, offering a valid guide for the spectral assignment.