联唑类金属超分子的自发手性拆分、结构调控和铁电性质

项目名称： 联唑类金属超分子的自发手性拆分、结构调控和铁电性质

项目编号： No.21461010

项目类型： 地区科学基金项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 谭育慧

作者单位： 江西理工大学

项目金额： 50万元

中文摘要： 分子基铁电体因融合了纯无机材料和有机材料的优点，其介电常数、电滞回线极化率、居里点等具有一定的可控性，为新型铁电材料的探索及应用开辟了新的思路，成为新一类先进功能材料的研究热点。国内外对分子基铁电材料的研究绝大部分集中在一些非心或单一手性超分子，而对于手性对映异构体的铁-介电性质的报道比较少见。 本项目利用潜手性联唑类有机配体与金属离子组装，通过对反应条件进行有效调控，使之在结晶过程中发生自发手性拆分，以期得到结晶于可能具有铁电性质的10种极性点群（C1，Cs，C2，C2v，C3，C3v，C4，C4v，C6，C6v）的对映异构体。一方面研究自发手性拆分过程及机理，对反应条件进行优化；另一方面研究对映异构体在能量上的微弱差别、空间排列方式的不同对结构相变、居里点（Tc）、极化率（Ps）以及介电常数（εr）的影响，为对映异构体分子基铁-介电材料的发展提供理论基础。

中文关键词： 铁电；自发手性拆分；对映异构体；联唑类配体

英文摘要： Molecular ferroelectrics have became a topic of intense interest because of combining the advantages of pure inorganic and organic materials, and the dielectric constant, ferroelectric hysteresis loops polarization and the curie point being of controlled. Forthermore, metal-organic coordination compounds afforded a new idea for the exploration and application of new ferroelectrics. As we known, most molecular ferroelectrics reported in the literature are concentrating in the acentric or monochiral supramolecular. However, there are still few research for ferroelectric properties of enantiomers. In this study, a series of enantiomers which belonged to 1 of the 10 polar point groups ( C1, C2, Cs, C2V, C4, C4V, C3, C3V, C6, C6V) will be designed and synthesized by useing biazole ligands coordinated with the metal ions. At the same time the reaction conditions will be controlled to push the spontaneous resolution in the process of the crystallization. On one hand, the mechanism of spontaneous resolution will be studied and furthermore optimize the reaction conditions. On the other hand, we will study the weak difference of the enantiomers on energy and the molecular spatial arrangement affect ferroelectrics properties, such as the Curie point (Tc), the structural phase transition, polarization rate (Ps), and dielectric constant (εr), which will provide a theoretical basis for molecular ferroelectric materials.

英文关键词： ferroectric;spontaneous resolution;enantiomers;biazole ligand