Journal
LIQUID CRYSTALS
Volume 43, Issue 4, Pages 564-572Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/02678292.2015.1125959
Keywords
DFT calculations; 2-difluorophenylene; tetrahydropyran; Tolane liquid crystals
Funding
- Defense Industrial Technology Development Program of China [B0520132007, B1120132028]
- Shaanxi National Science Foundation [2014JM7270]
- Key Technologies R&D Program of Xian [CXY1430(2)]
- Key Technologies R&D Program of Shaanxi Province [2014K10-06]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT-14R33]
- Fundamental Research Funds for the Central Universities [GK201504008, GK201501007, GK201501002]
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Four series of tolane liquid crystals containing 2,3-difluorophenylene and terminated by a tetrahydropyran (THP) moiety have been synthesised via multistep reactions based on 4-alkylcyclohexanecarboxylic acids and 4-bromo-2,3-difluorophenol. Their properties were measured by differential scanning calorimetry, polarising optical microscopy, Abbe refractometer and an electrical constants instrument. The results show that the THP-based liquid crystals nT reveal a relatively high value of the birefringence, negative dielectric anisotropy, good solubility and a broad nematic mesophase. The effects of the terminal alkyl chain, the lateral fluoro substituents and the THP terminal group on the mesomorphic and physical properties are discussed. Meanwhile, density functional theory calculations of molecular conformation and polarisability were conducted to correlate the experimental findings.
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