Magnetic Coordination Capsules: Establishing a Rationally-Designed, Paramagnetic Host-Guest Approach to Molecular Magnets.

配位胶囊是通常被称为分子容器物质的子集，即具有能够包封一个或多个完整的其他分子的中空内部空隙的化合物。与完全有机的分子容器物种（即仅由碳、氮、氢和氧组成的那些）相比，配位胶囊使用金属-配体键保持在一起。这提供了优于前者的几个优点，首先，由于金属配体键通常是动态的，它们可以使用自组装反应制备。这是多个单独组分反应形成单一物质的过程，其中由于金属-配体键的动力学，可以校正“错误”，使得系统能够“选择”最稳定的实体。配位系统的第二个吸引人的方面是，金属元素本身可以用来灌输胶囊与各种有趣的性能往往不与完全有机congenerers.In这个建议，我们感兴趣的是采用金属元素，含有未成对电子。在含有多个具有未配对电子的金属中心的胶囊中，这些金属中心可以通过配体框架“通信”，使得一个金属位点处的未配对电子可以影响相邻位点处的电子的自旋取向（向上或向下）。在这项建议中，我们希望比以前所取得的成就更进一步。我们想证明，有可能采取磁胶囊和封装的物种，包含更多的未成对电子。这反过来将影响胶囊系统的磁性，即使在封装的物质和胶囊之间没有直接的化学（共价）键。总的来说，这个项目的目的是进一步发展我们对磁结构关系的理解。从现实世界的角度来看，磁性材料有各种应用，从制冷，信息存储设备和量子信息处理，到成像和热疗等医疗应用。

Coordination capsules are a subset of what are often referred to as molecular container species i.e. compounds with hollow internal voids that are capable of encapsulating one or more whole other molecule. In contrast to fully organic molecular container species (i.e. those that are composed of only carbon, nitrogen, hydrogen and oxygen), coordination capsules are held together using metal-ligand bonds. This provides several advantages over the former, firstly, as metal ligand bonds are often dynamic they can be prepared using self-assembly reactions. This is the process whereby multiple individual components react to form a single species, wherein "mistakes" can be corrected because of the dynamics of the metal-ligand bonds, such that the system is able to "select" the most stable entity. The second attractive facet of coordination systems is that the metallic elements themselves can be used to imbue the capsule with various interesting properties often not associated with fully organic congeners.In this proposal, we are interested in employing metallic elements that contain unpaired electrons. In a capsule that contains multiple metal centres with unpaired electrons, these can "communicate" through the ligand framework, such that the unpaired electrons of at one metal site can influence the orientation of spin (either up or down) of an electron at an adjacent site. In this proposal, we want to go a step further than has previously been accomplished. We want to demonstrate that it is possible to take the magnetic capsule and encapsulate a species that contains further unpaired electrons. This in turn will affect the magnetic properties of the capsule system, even though there is no direct chemical (covalent) bond between the encapsulated species and the capsule. Overall, this project will aim to further develop our understanding of magneto-structural relationships. From a real-world perspective, there are various applications of magnetic materials, ranging from refrigeration, information storage devices and quantum information processing, through to medical applications such as imaging and thermotherapy.