Molecular Modeling of Liquid Crystalline Self-Organization of Fullerodendrimers: Columnar to Lamellar Phase Transitions Driven by Temperature and/or Concentration Changes

S.D. Peroukidis, A.G. Vanakaras and D.J. Photinos, J. Phys. Chem. B , 112(40), 12761-12767 (2008). (e-print)

biaxial clusters

Abstract: The molecular cubic-block model [J. Chem. Phys. 2005, 123, 164904] is used to study a class of poly(benzyl ether) fullerodendrimers that have recently been reported to form columnar liquid crystal phases. In agreement with experiment, the model-molecules are found to self-assemble into columns which form hexagonal or rectangular lattices. The columnar cross sections are elongated in the rectangular phase. Transitions to the isotropic phase, either directly or through the intermediate formation of smectic phases, have been found. The effects of dissolving small amounts of nonbonded fullerene molecules have been explored. The results predict that the fullerene solutes restrict the range of stability of the columnar phase and may induce transitions from the columnar to the smectic or the isotropic phase.  ©2008 American Chemical Society

Related Works:
A simple theory of molecular organization in fullerene containing liquid crystals, S. D. Peroukidis, A. G. Vanakaras and D. J. Photinos, J. Chem. Phys., 123, 164904 (2005).
Self-organisation of fullerene-containing conical supermesogens, S. D. Peroukidis , A. G. Vanakaras and D. J. Photinos, Soft Matter, 4, 493-499 (2008).
Molecular Theory of Dendritic Liquid Crystals: Self-Organization and Phase Transitions, A. G. Vanakaras and D. J. Photinos, J. Mater. Chem. 15, 2002-2012 (2005).


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