Add time:09/29/2019         Source:infona.pl

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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