Lineshapes of absorption spectra of molecular aggregates |
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| Christoph Brüning | |
| Universität Würzburg | |
| We perform time-dependent quantum calculations on the absorption spectroscopy of molecular aggregates [1]. There, we analyse a linear aggregate, where the monomer units - rotated by a fixed angle against each other - couple in next-neighbour interactions. The influence of vibrational motion, geometry, electronic coupling and aggregate size on the spectra is studied analytically and numerically. In particular, we investigate if and how one is able to obtain similar spectra for different sets of parameters: We vary intramolecular parameters, which determine the shape of the monomer potential curves, as well as the strength of the intermolecular coupling. It is shown that completely different parameter sets lead to identical peak structures in the absorption spectra. [1] J. Seibt, T. Winkler, K. Renziehausen, V. Dehm, F. Würthner, |