基于电荷转移的光调控手性分子磁体的设计、构筑与性能研究

One of the current trends in molecular magnetism and throughout materials science is to synthesize and study multifunctional magnetic compounds. The association or interaction between two physicochemical properties is of fundamental interest in discovering and/or experimenting with new physicochemical properties and in particular could give rise to original solutions in data-storage applications. The absence of the space-centre and time-inversion symmetry in the enantiopure chiral magnet allows the observation of bulk second harmonic generation (SHG). In this project, it is shown how the introduction of the distinctive switching magnetic molecular materials and non-centrosymmetry chiral materials allow obtaining enantiopure chiral switching magnets, an archetype of multifunctional materials. To reach this goal, we regulate and control metal-to-metal charge-transfer(MMCT) in chiral magnetic materials through external stimuli (such as light and heat), research the charge-transfer impact of molecular structure and polarity by chiral magnets non-centrosymmetry conglomeration, investigate the coupling between magnetic dipole and molecular dipolar, and achieve light control of the magnetic and nonlinear optical properties. In particular, we intend to construct low-dimensional charge-transfer compounds containing chiral functional group through theoretical analysis and structural design in molecular level, and to regulate the high spin and low spin for metal ions, charge-transfer in molecule and spin coupling interaction in chiral molecular magnets through external stimuli, which give a clue to investigate multi-functional molecular design and self-assemble, to explore and discover novel multi-funtionnal optical- and magnetic materials for information storage.

复合非线性光学性能的分子磁体作为一种多功能磁性材料构成现代信息存储技术的基础。分子的手性和极性等非中心集聚通过破坏时间反演对称性和空间中心对称性,成为构建二阶非线性光学性能的重要条件。本申请项目以磁分子开关材料和非中心对称的手性材料作为主要研究对象。利用光和热等外界刺激调控和操纵手性磁性材料中金属离子之间的电荷转移，研究电荷转移对分子的结构以及分子极性的影响，通过手性磁体的非中心集聚，考察分子偶极和磁偶极之间的相互耦合，实现光照对材料磁性、二阶光学非线性及其复合性能的调控。重点是通过分子水平的理论分析与结构设计，组装具有手性功能基团的低维电荷转移化合物，并考察光和热等外界刺激调节手性分子磁体中金属离子的高低自旋态、分子内电荷转移以及自旋耦合等作用规律，为研究多功能材料分子设计和组装规律，探索和发现新型多功能光磁信息存储材料提供新的思路。

多功能分子磁体构成现代信息存储技术的基础。分子的手性和极性等非中心集聚通过破坏时间反演对称性和空间中心对称性,成为构建铁电、二阶非线性光学性能的重要条件。本申请项目以磁分子开关材料和非中心对称的手性材料作为主要研究对象。通过自发拆分、手性试剂诱导等方法构筑手性分子材料，研究其磁构效关系；利用光或热等外界刺激调控和操纵手性磁性材料中金属离子之间的电荷转移，研究电荷转移对分子的结构以及分子极性的影响，通过手性磁体的非中心集聚，考察分子偶极和磁偶极之间的相互耦合，实现材料磁性、光学性能及其他性能的复合。主要是通过分子水平的理论分析与结构设计，围绕手性分子材料以及氰基分子磁体的构筑展开研究，通过不断优化，筛选出具有电荷转移的分子基磁性材料，并考察光或热等外界刺激调节分子磁体中金属离子的高低自旋态、分子内电荷转移以及自旋耦合等作用规律。通过本项目的实施，合计发表SCI收录学术论文11篇。