Hamburg 2009 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 22: Theorie: Moleküldynamik
MO 22.4: Vortrag
Donnerstag, 5. März 2009, 16:00–16:15, VMP 6 HS-G
Flourescence quenching in organic donor-acceptor dyads: a first principles study — •Thomas Körzdörfer and Stephan Kümmel — University of Bayreuth
Perylene bisimide is a prototypical organic dye frequently used in organic solar cells and light emitting devices as an hole-transporting material. Recent FRET(Förster-resonant-energy-transfer)-experiments on a bridged organic donor-acceptor dyad of triphenyl diamine and perylene bisimide [1] revealed a strong flourescence quenching on the perylene bisimide. This quenching is absent in a solution of free donors and acceptors and thus originates from the inclusion of the saturated C12H24-bridge [2]. We investigate the cause of the fluorescence quenching as well as the special role of the covalently bound bridge by means of time dependent density functional theory and molecular dynamics. We show that the conformational dynamics of the bridged system leads to a charge transfer process between donor and acceptor that causes the acceptor fluorescence quenching [3].
P. Bauer et al., Chem. Mater. 19, 88 (2007).
Ch. Scharf et al., Chem. Phys. 328, 403 (2006).
T. Körzdörfer and S. Kümmel, to be published.