The optical properties of 1,2;8,9-dibenzopentacene molecules in different environments, namely solutions, solid solutions, and thin films, focusing on the shift of the electronic levels as a function of the dielectric properties of the surrounding media are investigated. In all cases, we find that the optical gap of 1,2;8,9-dibenzopentacene is somewhat larger than that of pentacene (by ~0.21 eV in solution) in spite of the larger extent of the π-electron system in the former molecule. This a priori unexpected finding is rationalized on the basis of quantum-mechanical simulations.
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Published in Zhurnal Prikladnoi Spektroskopii, Vol. 83, No. 1, pp. 26–32, January–February, 2016.
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Tovstopyat, A., Zojer, E. & Leising, G. Electronic Properties of 1,2;8,9-Dibenzopentacene in Solutions, Solid Matrices, and Thin Films. J Appl Spectrosc 83, 20–26 (2016). https://doi.org/10.1007/s10812-016-0236-y
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DOI: https://doi.org/10.1007/s10812-016-0236-y