Six benzoxazole-terminated mesogenic compounds with fluoro substituent at different positions were prepared and their properties investigated. The compounds give a high birefringence (Delta n similar to 0.45) and a large-dielectric anisotropy (Delta epsilon similar to 26), indicating a possible application in liquid-crystal mixture as a dopant to enhance performance of the host mixture. In accordance with conventional high Delta n liquid crystals containing triple carbon-carbon bonds, lateral fluoro substituents and terminal groups can alter the Delta n and Delta epsilon of benzoxazole-terminated liquid crystals. Meanwhile, some parameters such as dipole moment, polarisability, dihedral angles are calculated with density functional theory (DFT) methods to relate to the experimental Delta n and Delta epsilon. It is noted that the introduction of the benzoxazole unit is an effective method to enhance Delta n and Delta epsilon values of the rodlike molecule, this is ascribed to its pi-conjugated benzene-fused heterocycle and large dipole moment. [GRAPHICS] .
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem