对于向列液晶分子中常见的典型含氧基团,通过密度泛函理论(Density Functional Theory,DFT)的B3LYP/6-31G(d)方法计算了氧原子处于不同位置以及与不同基团相连时的静电势分布和偶极矩大小,分析了含氟基团和氧原子相连时对静电势分布和偶极矩的影响,研究了这些含有氧原子的基团和其它相关基团对应的液晶化合物的粘度与静电势分布和偶极矩的联系,所得到的结论有助于理解液晶粘度与分子电子结构之间的关系以及低粘度液晶的分子设计.
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