基于分子的精准合成和化学调控，分子磁体为分子自旋电子学器件研究提供了丰富的可能性。单分子磁体研究为理解自旋-轨道耦合作用、磁各向异性与几何结构-电子结构的关系、自旋与声子的相互作用等化学和物理科学共同关心的问题提供了机会。本项目在对单分子磁体磁构关系理解基础上，围绕低配位策略构筑稀土单分子磁体和相应磁构关系，进行三方面研究：1 设计合成配位数为二、 且呈线形结构的磁性稀土配合物，进行单分子磁性研究; 2 磁性稀土金属富勒烯包合物的单分子磁性研究；3 低配位稀土单分子磁体磁构关系的理论研究。本项目旨在探索低配位稀土配合物特殊的几何、电子结构与磁性关系，获得高弛豫能垒和阻塞温度的稀土单分子磁体，提出提高单分子磁体阻塞温度的新策略，为单分子磁体在分子自旋电子学和量子计算等方面的应用提供材料基础。

Based on the precise synthesis and chemical design, single-molecule magnets provide the abundant possibilities in the studies of molecular spintronics devices. At the same time, the researches of single-molecule magnets provide the opportunity to understand the spin-orbit coupling, magnetic anisotropy and spin-phonon interaction, etc., which are all highly concerned questions both in chemistry and physics. In this project, we’ll focus the studies on the synthesis and magneto-structural correlation of high performance single-molecule magnets by low-coordinate strategy: 1 the synthesis and single-molecule magnetism of two-coordinate linear lanthanide compound; 2 single-molecule magnetism of magnetic lanthanide endohedral metallofullerene; 3 the theoretical studies on low coordinate lanthanide single-molecule magnets. These studies will search for the new strategy to enlarge the blocking temperature of single-molecule magnets and provide the materials basis to the fields of molecular spintronics device and quantum computing.