1,3-双(偶氮介晶基)-1,1,3,3-四甲基二硅氧烷的合成、2D NMR结构分析和液晶性能

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合成了2个(CH3(C6H4)N2(C6H3A)COO(C6H4)OCH2-Si(CH3)2)2O化合物,其中A = H为1,A = CH3为2。经IR、1H NMR和元素分析表征,并用2D NMR1H-1H COSY记录了2个化合物中不同取代基苯环上所有质子的化学位移和相关-自旋偶合常数,对谱线的归属作了指认。通过偏光显微镜和DSC分析,1具有液晶性能,而2没有液晶性能。同时,用AM1方法计算了它们的电子结构,讨论了它们的结构与性能之间的关系。 Two (CH3 (C6H4) N2 (C6H3A) COO (C6H4) OCH2-Si (CH3) 2) 2O compounds were synthesized, where A = H was 1 and A = CH3 was 2. The chemical shifts and related-spin coupling constants of all the protons on the benzene rings of different substituents in the two compounds were characterized by IR, 1H NMR and elemental analysis. The assignments of the spectra were also confirmed by 2D NMR1H-1H COZY. By polarized light microscopy and DSC analysis, 1 has liquid crystal properties, while 2 has no liquid crystal properties. At the same time, their electronic structure was calculated by AM1 method and the relationship between their structure and performance was discussed.
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