Cooperativity in Organic Spin Materials and their Hybrid Systems: Steering of Magnetic Properties by Orientation of Radicals (B11)

该项目旨在设计、制备和表征新型纯有机自旋系统，以实现和最大化铁磁交换耦合。虽然合作磁系统大多是通过试错来实现的，但我们的方法将以预测理论化学为指导。磁交换耦合的强度将通过优化分子构建块，使用硫代酰基以及对称和非对称双基体系及其相互取向来最大化。进一步的方法将包括在多孔无机主体材料中组装构建块，甲醛基取代聚二乙炔的拓扑化学聚合和聚甲醛基系统的设计。协同磁性将通过温度相关磁化率和场相关磁化测量来检验。现代固态核磁共振和EPR实验将用于表征这些材料的结构，并研究分子间磁交换相互作用的强度。

The project aims at designing, preparing, and characterizing novel purely organic spin systems, with the objective of realizing and maximizing ferromagnetic exchange couplings. While cooperative magnetic systems have been mostly realized by trial-and-error, our approach will be guided by predictive theoretical chemistry. The strength of magnetic exchange couplings will be maximized by optimizing the molecular building blocks, using thioxoverdazyls as well as symmetric and non-symmetric biradical systems and their mutual orientations. Further approaches will include the assembly of building blocks within porous inorganic host materials, the topochemical polymerization of verdazyl substituted polydiacetylenes and the design of polyverdazyl systems. Cooperative magnetism will be examined by temperature dependent magnetic susceptibility and field dependent magnetization measurements. Modern solid-state NMR and EPR experiments will be used to characterize these materials structurally and to investigate the strengths of intermolecular magnetic exchange interactions.