Dresden 2014 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session 2

CPP 37.50: Poster

Wednesday, April 2, 2014, 15:00–19:00, P3

Crystalline and J-aggregated state of semiconducting polymer: thin polycrystalline polyaniline films — Natalia Gospodinova¹, Olga Omelchenko^{1, 2}, Elena Tomšík¹, and •Olga Guskova³ — ¹Institute of Macromolecular Chemistry AS CR, Heyrovsky Sq. 2, 162 06 Prague 6, Czech Republic — ²A.N. Frumkin Institute of Physical Chemistry and Electrochemistry RAS, 31 Leninsky prospect, 199071 Moscow, Russian Federation — ³Leibniz Institute of Polymer Research Dresden, Hohe Str. 6, D-01069 Dresden, Germany

Thin polycrystalline polyaniline films according to two dimensional WAXS data are constituted from fibril-like crystals. Full-atomistic molecular dynamics simulation confirms that water-mediated hydrogen bonds are responsible for the self-assembling of aniline oligomers in the fibril direction. Polycrystalline films show a reversible red shift of long-wavelength optical maximum from 570 to 800 nm upon water adsorption. Similarly to dyes long-wave absorption can be attributed to J-like liquid crystalline phase, superficial formation of which is governed by water-mediated intermolecular hydrogen bonding. Thus, a dominating role of hydrogen bonds in crystalline and J-aggregate design of semiconducting polymer has been shown [1].

[1] O. Omelchenko, E. Tomšík, A. Zhigunov, O. Guskova, O. Gribkova, N. Gospodinova // Macromol. Chem. Phys. 2013. DOI: 10.1002/macp.201300429.