期刊
LIQUID CRYSTALS
卷 41, 期 11, 页码 1635-1646出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/02678292.2014.940505
关键词
cyanobiphenyl; halogen terminated; smectic A; density functional theory; smectic A stabilisation
资金
- Engineering and Physical Sciences Research Council [EP/D055261/1, EP/G023611/1, EP/J007714/1] Funding Source: researchfish
- EPSRC [EP/D055261/1, EP/J007714/1, EP/G023611/1] Funding Source: UKRI
In this article, we report on the liquid-crystalline properties of two series of halogen-terminated cyanobiphenyl-based materials. Unlike other rod-shaped, halogen-terminated materials reported, these materials do not exhibit the smectic A phase and instead only exhibit nematic liquid-crystal mesomorphism. Comparisons between these materials and analogous unsubstituted materials were made, and the relationships between their molecular structures and phase behaviour are discussed with the aid of molecular modelling at the B3LYP/6-31G* level of density functional theory.
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