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Imidazole and benzoimidazole derived new ionic liquid crystal compounds: synthesis, characterisation, mesomorphic properties and DFT computations
Liquid Crystals ( IF 2.4 ) Pub Date : 2020-12-11
AbdulKarim-Talaq Mohammad, Omar S. Khalefa, H. T. Srinivasa, Wissam Ahmed Ameen

ABSTRACT

Four new series of ionic liquid crystals derived from imidazole bromonium and benzimidazole bromonium salts with spacer alkyl chain (Cn, n = 2, 4) were synthesised and characterised. The following tests and measurements have been performed: the FT-IR, 1H-NMR and 13C-NMR spectroscopy in addition to a CHN elemental analysis techniques. Both the differential scanning calorimetry and the polarising optical microscopy measurements are applied for the evaluation of liquid crystals properties. The outcome confirms the existence of a smectic A liquid crystalline phase. A Density Functional Theory computations were performed to obtain the shape of the molecular structure that corresponds to the ground-state energy.



中文翻译:

咪唑和苯并咪唑衍生的新型离子液晶化合物:合成,表征,同构性质和DFT计算

摘要

合成并表征了四个新的系列离子液晶,这些离子液晶是由具有间隔烷基链(C n,n = 2,4)的咪唑溴和苯并咪唑溴盐衍生而来的。除CHN元素分析技术外,还进行了以下测试和测量:FT-IR,1 H-NMR和13 C-NMR光谱。差示扫描量热法和偏振光学显微镜法测量均用于评估液晶性能。结果证实了近晶A液晶相的存在。进行密度泛函理论计算以获得与基态能量相对应的分子结构的形状。

更新日期:2020-12-11
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