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Regensburg 2019 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 3: Molecular Electronics and Excited State Properties

CPP 3.2: Vortrag

Montag, 1. April 2019, 10:00–10:15, H13

Controlling H- and J-type electronic coupling in single deterministic conjugated polymer aggregates — •Theresa Eder1, Christoph Allolio2, Dominik Horinek2, Sigurd Höger3, Jan Vogelsang1, and John M. Lupton11Institut für Experimentelle und Angewandte Physik, Universität Regensburg, Germany — 2Institut für Physikalische und Theoretische Chemie, Universität Regensburg, Germany — 3Kekulé-Institut für organische Chemie und Biochemie, Universität Bonn, Germany

The electronic coupling in conjugated polymers, which impacts the spectroscopic behavior tremendously, can be explained in the theoretical framework of H- and J-aggregation between neighboring chromophoric units. We investigate custom-synthesized model polymers and oligomers and show how the distance between chains impacts the coupling type [1]. Based on the work on single polymer aggregates, we intramolecularize aggregation by designing single dimers and trimers with a fixed spatial distance of the conjugated units. Here, we are also able to demonstrate, in combination with molecular dynamics and TDDFT calculations, that strong H-type coupling occurs in ordered oligomers at close spacings, whereas disorder and increased spacing quenches coupling [2]. Further, the examination of single-molecule spectra allows us to show how an increase in the dimer length with similar chromophore distance gives rise to increased J-type attributes such as spectral narrowing and reduced vibronic coupling.

[1] T. Eder et al., Nature Commun. 8, 1641 (2017)

[2] C. Allolio et al., J. Phys. Chem. B 122, 6431 (2018)

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