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Nonsymmetric bent-core liquid crystals based on a 1,3,4-thiadiazole core unit and their nematic mesomorphism

  作者 Seltmann, J; Marini, A; Mennucci, B; Dey, S; Kumar, S; Lehmann, M  
  选自 期刊  CHEMISTRY OF MATERIALS;  卷期  2011年23-10;  页码  2630-2636  
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[摘要]The synthesis and thermotropic properties of novel V-shaped molecules having a central 1,3,4-thiadiazole core with a bend-angle of 160 are reported. The compounds consist of a shape-persistent oligo(phenylene ethynylene) scaffold with lateral alkyloxy substituents. One of the terminal aromatic units possesses an alkoxy chain capped by an ethyl ester group while the second terminus is a pyridyl group. They exhibit enantiotropic nematic phases and are characterized by polarized optical microscopy, differential scanning calorimetry, and X-ray diffraction. Results from conoscopy indicate a biaxial nature of the nematic phase near room temperature. DFT calculations of dipole moments and molecular polarizabilities are used to substantiate the experimental findings.

 
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