Twisting power of bridged binaphthol derivatives: comparison of theory and experiment
Twisting power of bridged binaphthol derivatives: comparison of theory and experiment
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DOI：
10.1080/026782998207398
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发表时间：
1998-02-01
期刊：
影响因子：
2.2
通讯作者：
Shibaev, VP
中科院分区：
文献类型：
--
作者：
Ferrarini, A;Nordio, PL;Shibaev, VP
利用基于表面螺旋度张量的模型，研究了最近合成的一系列6，6‘-位具有不同长度和化学性质的桥联联苯酚衍生物作为向列相溶剂中的掺杂剂的扭转能力。这些化合物的低能构象的结构是通过分子力学计算得到的。在各向异性和形状手性的基础上，分析了它们的取向行为和取向各向异性与分子手性之间的耦合，这是螺旋扭力的起源。
The twisting ability of a novel series of bridged binaphthol derivatives with substituents of various lengths and chemical nature in the 6,6'-positions, recently synthesized and used as dopants in nematic solvents, is investigated with the help of the model based upon surface-helicity tensors. Structures of the low energy conformers of these compounds have been generated by molecular mechanics calculations. Their orientational behaviour and the coupling between anisotropy in the alignment and molecular chirality, which are at the origin of the helical twisting power, are analysed on the basis of the anisometry and the chirality of the shape.