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Faculty for Biology, Chemistry, and Earth Sciences

Macromolecular Chemistry I:

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Spreitler, F.; Sommer, M.; Hollfelder, M.; Thelakkat, M.; Gekle, S.: Unravelling the conformations of di-(perylene bisimide acrylate) by combining time-resolved fluorescence-anisotropy experiments and molecular modelling, Physical Chemistry Chemical Physics, 16, 25959-25968 (2014) -- DOI: 10.1039/C4CP03064H
We compare the results from time-resolved fluorescence anisotropy experiments and molecular modelling on perylene bisimide acrylate dimers which allows us to connect the observed spectral signatures unambiguously with the non-stacked and two (parallel and anti-parallel) stacked conformations. For the parallel stacked conformation the experimental data can be reproduced quantitatively using a model that assumes structural relaxation in the electronically excited state of the stacked aggregate. For the non-stacked conformation we find quantitative agreement between experiment and modelling only if a fast hopping of the electronic excitation between the perylene bisimide subunits is taken into account.
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