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Coexistence of Two Aggregation Modes in Exotic Liquid-Crystalline Superstructure: Systematic Maximum Entropy Analysis for Cubic Mesogen, 1,2-Bis(4′-n-alkoxybenzoyl)hydrazine [BABH(n)]

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Department of Chemistry, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan, and Department of Chemistry, Faculty of Engineering, Gifu University, 1-1 Yanagido, Gifu 501-1193, Japan
* Corresponding author. E-mail address: [email protected]
†University of Tsukuba.
‡Gifu University.
Cite this: J. Phys. Chem. B 2008, 112, 39, 12179–12181
Publication Date (Web):September 9, 2008
https://doi.org/10.1021/jp806481a
Copyright © 2008 American Chemical Society
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Abstract

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Structure of a complex superstructure self-organized by thermotropic mesogen, 1,2-bis(4′-n-alkoxybenzoyl)hydrazine [BABH(n), where n is the number of carbon atoms in an alkoxy chain] was studied while paying special attention to the structure at the molecular level. Maximum entropy (MEM) analysis revealed that the molecular cores form two kinds of aggregates: Jungle gym with 3-fold junctions roughly on P minimal surface and spherical shells.

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Experimental details (including input data for MEM analyses), computational details for the MEM analyses, and figures illustrating electron densities. This material is available free of charge via the Internet at http://pubs.acs.org.

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