Unravelling the conformations of di-(perylene bisimide acrylate) by combining time-resolved fluorescence-anisotropy experiments and molecular modelling

Title data

Spreitler, Florian ; Sommer, Michael ; Hollfelder, Manuel ; Thelakkat, Mukundan ; Gekle, Stephan ; Köhler, Jürgen:
Unravelling the conformations of di-(perylene bisimide acrylate) by combining time-resolved fluorescence-anisotropy experiments and molecular modelling.
In: Physical Chemistry Chemical Physics. Vol. 16 (2014) Issue 47 . - pp. 25959-25968.
ISSN 1463-9084
DOI: https://doi.org/10.1039/C4CP03064H

Project information

Abstract in another language

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.