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Molecular ordering and dynamics in the columnar mesophase of a new dimeric discotic liquid crystal as studied by X-ray diffraction and deuterium NMR

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Zimmermann,  Herbert
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Zamir, S., Poupko, R., Luz, Z., Hüser, B., Boeffel, C., & Zimmermann, H. (1994). Molecular ordering and dynamics in the columnar mesophase of a new dimeric discotic liquid crystal as studied by X-ray diffraction and deuterium NMR. Journal of the American Chemical Society, 116(5), 1973-1980. Retrieved from http://pubs.acs.org/doi/abs/10.1021/ja00084a042.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-A941-0
Abstract
The preparation and mesomorphic properties of a new discotic dimer, bis[pentakis(pentyloxy)triphenylenyloxyJdecane (DTHES) is described. This molecule is a perfect twin of the monomeric hexakis(penty1oxy)triphenylene (THES) in that both the spacer and the free alkyl chains are linked via ether bonds and the spacer is exactly twice the length of the free side chains. DTHES exhibits a columnar discotic phase which is completely miscible with that of THE5 and is thus classified as DA, Le. ordered hexagonal (D& X-ray diffraction measurements confirm the assignment and provide geometrical lattice parameters (a = 20.2 A; stacking distance of d = 3.48 A at room temperature) as well as correlation lengths for both (345 and 125 A, respectively). Deuterium NMR measurements of specifically deuterated DTHES in the mesophase region exhibit dynamic line shapes consistent with restricted, high-amplitude, planar librations of the monomeric subunits within the columns. A theory which considers the effect of this motion on the NMR line shape in terms of a diffusion equation in a restricting potential is developed and used to simulate the experimental spectra. The results of the analysis provide kinetic and model related parameters.