手性配体诱导合成分子基铁电材料及其性质研究

项目名称： 手性配体诱导合成分子基铁电材料及其性质研究

项目编号： No.21201087

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 无机化学

项目作者： 陈立庄

作者单位： 江苏科技大学

项目金额： 23万元

中文摘要： 铁电材料作为一类重要的功能材料，在许多技术领域都有着重要的应用。铁电性跟晶体结构有着密切的关系，只有结晶于十个极性点群的晶体，才可能具有铁电性。本项目拟通过引入合适的手性配体与中心金属离子配位，诱导配合物结晶在十个极性的点群中，这样就大大增加了晶体具有铁电性质的可能；对于没有落在具有铁电性质十个极性点群的化合物，可以在朗道相变理论的指导下，通过改变晶体的温度来进一步寻找其铁电相。利用变温X射线单晶衍射仪确定铁电材料在铁电相和顺电相的分子结构，并结合对材料铁电、介电性质的测定，探讨有机配体的手性、构成骨架主体的金属离子和配体的种类、氢键作用等对材料铁电性能的影响，寻找影响材料铁电性能的关键因素；在实验研究基础上，结合基于第一性原理的模拟方法揭示材料结构特征与其铁电性能之间关联性的规律。

中文关键词： 手性；铁电；诱导；自发极化；相变

英文摘要： Ferroelectric materials are of importance and interest in both fundamental scientific research and various technological applications. Ferroelectrics may be defined as materials which show a spontaneous electric polarization and whose direction of the polarization can be reversed by an electric field. Synthesis of new ferroelectric materials is particularly challenging due to the strict requirements that a compound needs to crystallize in chiral space groups belonging to one of 10 polar point groups. The homochiral compounds should be good candidates, which easily crystallize in chiral point groups with residual dipole moments leading to ferroelectric. In this research, we expect to obtain ferroelectric compounds crystalling in 10 polar point groups by using suitable chiral ligands and metal ions. As to those compounds which don't crystallized in 10 polar point groups, we can search the ferroelectric phase at varied temperature under the Landau theory of phase transitions. Crystal structure of ferroelectric phase and paraelectric phase is determined by variable-temperature single-crystal X-ray diffraction. The effect of the chiral of ligands, metal ion, ligand types and hydrogen bonds on the material ferroelectric property will be discussed and the key influencing fators to material ferroelectric property should

英文关键词： chiral；ferroelectric；induce；spontaneous polarization；phase transition