寻找新材料，构建新的自旋电子学器件，理解和实现自旋的调控和操纵，是无机化学、材料化学、信息科学等学科共同关心和亟待解决的关键科学问题之一。单分子磁体，从合成、制备和组装角度讲，是一种可以理性设计、精细制备和多尺度组装的新型磁性分子；从结构和物性关系上讲，单分子磁体也非常适合研究分子自旋电子学器件的多功能集成和构效关系，是一类非常有应用潜力和研究价值的体系。单离子磁体是指只含有一个磁性中心的单分子磁体，是分子磁性研究领域近年来的重要突破。本项目以设计合成高性能单离子磁体、研究结构与磁性能关系为目标，从磁性金属离子选择、配位场调控、配体端基修饰等方面研究磁性金属离子电子结构、配位场对称性与电荷分布等对提高单离子磁弛豫能垒与阻塞温度的影响，探索调控单离子磁体磁各向异性的方法，为分子自旋电子学器件制备与应用提供材料和理论基础。

Looking for the new materials, constructing the new spintronics devices, understanding and realizing the control and manipulate of spin, is one of the key questions in the interdisciplinary studies of inorganic chemistry, material chemistry and information science. Single-molecule magnets (SMMs) is a kind of valuable systems with the potential usage in the field of ultra-high density storage, quantum computing and molecular spintronics devices. From the view of synthesis and assembling, it is a new type of molecular magnets which could be rational designed, fine chemical synthesis and multi-scale assembled. On the other hand, it is very suitable to study the multi-functional assembled and relationship between structure and function. Normally, single-ion magnets (SIMs) is referred to the SMMs with only one paramagnetic ion. It is one of the most important progress recent years in the field of molecular magnetism. In this project, we focus on the design and synthesis of high performance single-ion magnets and study the corresponding magneto-structural correlation. We’ll examine the relationship between the magnetic performance of SIMs and effect of electronic structure of metal ion, the symmetry and charge distribution of ligand field, the terminal group modification of the ligand. The present study will provide the basis of material and theory for the field of new generation molecular spintronics devices.