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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 50: Poster Session III

CPP 50.42: Poster

Dienstag, 17. März 2020, 14:00–16:00, P1C

Do Columns of Azobenzene Stars Disassemble under Light Illumination? — Markus Koch, Marina Saphiannikova, and •Olga Guskova — Leibniz Institute of Polymer Research Dresden

The clustering properties of star-shaped molecules comprising three photochromic azobenzene-containing arms [1] are investigated with a specific focus on the influence of light on these structures. Previous experimental works report the self-assembly of azobenzene stars in aqueous solution into long columnar clusters that are detectable using optical microscopy. These clusters appear to vanish under UV irradiation, which is known to induce trans-to-cis photoisomerization of the azobenzene groups. We have performed MD simulations, density functional theory and density functional tight-binding calculations to determine conformational properties and binding energies of these clusters [2, 3]. Our simulation data suggest that the binding strength of the clusters is large enough to prevent a breaking along their main axis. We conclude that very likely other mechanisms lead to the apparent disappearance of the clusters.

This research was funded by the German Research Foundation (DFG), grant numbers GU1510/3-1, SA1657/13-1 and GU1510/5-1.

[1] M. Koch et al. J. Phys. Chem. B, 2017, 121, 8854.

[2] M. Koch et al. Langmuir, 2019, 35, 14659.

[3] V. Savchenko et al. Molecules, 2019, 24, 4387.