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Issue 42, 2019
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Molecular packing in two bicontinuous Ia[3 with combining macron]d gyroid phases of calamitic cubic mesogens BABH(n): roles in structural stability and reentrant behavior

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Abstract

1,2-Bis(4′-n-alkoxybenzoyl)hydrazine [BABH(n), n is the number of carbon atoms in the alkyl chain] exhibits two different Ia[3 with combining macron]d cubic phases depending on the chain length (5 ≤ n ≤ 13 and 15 ≤ n ≤ 22). The molecular packing modes, not only of molecular cores but also of alkyl chains, are investigated through a maximum entropy method (MEM) and an analysis of the chain-length dependence of the body diagonal of the unit cell. The analyses revealed the difference in molecular packing. The short-chain Ia[3 with combining macron]d structure of BABH(n) (5 ≤ n ≤ 13) is constructed by single-layered core motifs and bilayers of alkyl chains, in which the orientation is tilted from the normal to the layer. The long-chain Ia[3 with combining macron]d structure (15 ≤ n ≤ 22) is formed by double-layered core motifs and monolayers of alkyl chains, in which the orientation is normal to the layer. Based on the molecular packing modes, the reentrant behavior between the two Ia[3 with combining macron]d phases was clarified. It was revealed that the alkyl chains of BABH(n) molecules play an essential role in the formation and stability of the two Ia[3 with combining macron]d structures.

Graphical abstract: Molecular packing in two bicontinuous Ia [[3 with combining macron]] d gyroid phases of calamitic cubic mesogens BABH(n): roles in structural stability and reentrant behavior

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Supplementary files

Article information


Submitted
09 Aug 2019
Accepted
07 Oct 2019
First published
07 Oct 2019

Phys. Chem. Chem. Phys., 2019,21, 23705-23712
Article type
Paper

Molecular packing in two bicontinuous Ia[3 with combining macron]d gyroid phases of calamitic cubic mesogens BABH(n): roles in structural stability and reentrant behavior

Y. Yamamura, Y. Nakazawa, S. Kutsumizu and K. Saito, Phys. Chem. Chem. Phys., 2019, 21, 23705
DOI: 10.1039/C9CP04424H

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