多功能自旋交叉分子晶体的设计与构筑

项目名称： 多功能自旋交叉分子晶体的设计与构筑

项目编号： No.91622110

项目类型： 重大研究计划

立项/批准年度： 2017

项目学科： 数理科学和化学

项目作者： 王新益

作者单位： 南京大学

项目金额： 80万元

中文摘要： 本项目紧扣本重大研究计划的主题，研究功能性晶态材料的可控制备和性能。计划以构筑自旋交叉化合物为出发点，以配位化学的基本原理为基础，从配位场理论出发，采用多种合成策略，设计合成具有自旋交叉性质的分子磁性材料。具体而言，本项目将主要解决自旋交叉化合物的“可控合成”及其“多功能性质的设计和调控”。首先探索新的自旋交叉化合物的合成策略，研究阴离子型自旋交叉化合物，异金属自旋交叉化合物，氢键桥连的自旋交叉柔性骨架等体系，通过掺杂方法调节自旋交叉性质。系统研究它们的磁性，总结相关结构-功能关系。通过配体修饰、阴阳离子及客体分子的选择和替换等策略引入光、电等功能性质，设计多功能自旋转换材料，并研究自旋交叉性质和其他性质之间的可能关联及协同相互作用，为获得具有实际应用可能的多功能材料提供材料基础及依据。

中文关键词： 功能配位聚合物；自旋交叉；多功能材料；光响应材料；电学性能

英文摘要： This proposal will closely stick to the main goal of this major research plan and mainly focus on the controllable synthesis and tunable properties of the functional crystalline materials. The research of the project will center on the spin crossover complexes. Using the principles of coordination chemistry and ligand field theory, a number of design strategies will be developed, hoping to controllably synthesize the spin crossover molecular materials. Concretely speaking, this project hopes to solve the problems of “controllable synthesis” and “tunable properties” of spin crossover compounds. We will firstly explore the new synthetic strategies, including anionic spin crossover compounds, heterometallic spin crossover compounds, flexible spin crossover frameworks constructed by hydrogen bonds, and spin crossover materials prepared by doping methods. From the careful studies of the properties of the materials, we are hoping to gain the proper “structural-function” relationship. By decorating the organic ligands, choosing different counter ions and different guest molecules, different physical properties will be introduced to the spin crossover compounds and materials of multifunctional properties will be prepared. The synergies of the spin crossover properties and other physical properties will be investigated, hoping to gain more insights into their cooperativity and to promote the development of multifunctional materials of possible practical applications.

英文关键词： coordination polymer;spin crossover;multifunctional materials;photo responsive materials;electronic properites