Berlin 2018 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 33: Poster Session III
CPP 33.29: Poster
Dienstag, 13. März 2018, 14:00–16:00, Poster C
Solvation effects and self-organization of a multi-azobenzene photochromic system in aqueous and DMSO/water solutions — •Markus Koch1, Anastasia B. Danilova2, Aleksandr S. Pavlov2, and Olga Guskova1 — 1Institute Theory of Polymers, IPF Dresden, Germany — 2Department of Physical Chemistry, Faculty of Chemistry and Technology, Tver State University, Russia
The star-shaped molecules with benzene-1,3,5-tricarboxamide center (playing a role of gelator) and three photo-sensitive azobenzene arms were found to self-assemble into supramolecular columnar phases in solution [1]. Upon UV-light stimulus, when azobenzenes are isomerized from a planar trans- to a bent cis-state, these aggregates undergo order/disorder transition, which was largely attributed to the changes in molecular geometry. In this work, the concentrated solutions of multi-azobenzene photochromic system [2] in water and DMSO/water mixture are studied at Ångström resolution using all-atom MD simulations aiming at further understanding of the self-assembly and disassembly triggered by light. Comparing the solvation properties of the stars in water and DMSO/water mixtures, we conclude about possible impact of DMSO molecules on the structural properties of the star. Our results represent a useful conceptual starting point to deeper understanding of the experimentally observed morphological transitions triggered by light and upon exposure of columnar phases to pure DMSO.
This work was supported by DFG (Project No GU 1510/3-1).
[1] S. Lee et al. Langmuir 2013, 29, 5869.
[2] M. Koch et al. J. Phys. Chem. B 2017, 121, 8854.