磁性液晶分子材料的设计、控制组装、功能及其构效关系研究

Anionic radicals TCNX(TCNQ、TCNE、TCNB and [M(dithiolato)2] will be used as magnetic terminal of molecules, condensation reactions of these radicals with alkyl- or alkoxy-containing analogs of aniline and aminopyridine yield a series of compounds consist of magnetic liquid crystals. Studies to be performed in this project include the measurement of liquid cystal properties of these compounds, the analysis of the effects of substituents on the properties of the liquid crystal including melting points, clearing points, thermodynamic stability, operation response speed, elastic constant, ordering, viscosity coefficient, and liquid crystal phase range, and the investigation of the relationship between molecular structures and entropy & enthalpy. X-ray crystallography analysis and quantum chemistry calculations will be used to investigate molecular structures, electronic structure, electronic and magnetic function of liquid crystal, as well as the effects of external magnetic field on their properties. Through optimization, novel liquid crystal materials will be proposed which are made of molecules with dual properties of liquid crystal and magnetism, and corresponding structure-effect relationship will be established. The effects of the additional liquid crystals capable of magnetism into the existing ones will be explored, and advanced liquid crystal materials will be developed which have enhanced thermal stability, fast response speed, fine memory capability, wide visual angles, and high contrast. This study will be of significant scientific value in advancing the properties of liquid crystal materials and promoting the applicability of these novel materials with dual properties of liquid crystal and magnetism.

选择TCNX(TCNQ、TCNE、TCNB)和[M(dithiolato)2]等负离子自由基作为分子的磁性末端，与端基含有烷基或烷氧基结构的苯氨或氨基吡啶衍生物进行缩合反应制备一系列磁性液晶分子化合物，测定化合物的液晶性能，分析取代基对液晶化合物的熔点、清亮点、热稳定性、响应速度、弹性常数、有序性、黏滞系数以及液晶相区间的影响，研究其分子结构与焓变及熵变的关系。结合X-射线单晶结构分析和量子化学计算等方法，系统地研究分子结构、电子结构、光电磁功能以及外磁场对液晶性能的影响。优化出集液晶性、磁性于一身的新型液晶材料，建立相应的构效关系。在此基础上，探索在现有液晶材料中添加磁性液晶化合物后，对液晶性能的影响规律。开发高热稳定性、快速响应、良好记忆、宽视角和高对比度的液晶材料。研究结果对提高液晶材料的性能，推动新型磁性液晶材料早日实用化等方面具有重要的科学价值。

选择TCNX(TCNQ、TCNE、TCNB)和[M(dithiolato)2]等负离子自由基作为分子的磁性末端，与端基含有烷基或烷氧基结构的苯氨或氨基吡啶衍生物进行缩合反应制备一系列磁性液晶分子化合物，测定化合物的液晶性能，分析取代基对液晶化合物的熔点、清亮点、热稳定性、响应速度、弹性常数、有序性、黏滞系数以及液晶相区间的影响，研究其分子结构与焓变及熵变的关系。结合X-射线单晶结构分析和量子化学计算等方法，系统地研究分子结构、电子结构、光电磁功能以及外磁场对液晶性能的影响。.设计和合成具有特定拓扑结构的配位聚合物引起了人们的极大兴趣，主要是因为它们在催化、气体吸附、非线性光学、荧光、磁性等领域具有潜在的应用价值。设计并合成了26个金属配位聚合物，研究它们的结构、性质和构效关系，分析了金属离子、有机羧酸、辅助配体、取代基和平衡阴离子等反应条件对配合物结构和性质的影响。