Odd-electron pi-systems with paramagnetic metal centres as molecular magnets

分子磁体的发明使得制造原子级精确的磁性系统成为可能，包括“正常生命”大小的磁体的分子等效物。分子磁性化合物用于医学成像，其中它们被用作MRI造影剂，并且通常用于可视化内部器官和其他身体结构以及肿瘤的结构。分子磁性团簇也可应用于低温学，其中退磁-磁化循环允许熵驱动的热吸收。这可以用来将系统冷却到微开尔文状态-比绝对零度高百万分之一度。分子磁系统的一个更未来的应用是量子计算，这需要“量子单元”之间的受控组织和通信。这种量子单位的一个例子是特定元素的原子，例如铜。这些铜原子就像微小的磁铁。就像普通大小的磁铁产生磁场一样，原子也会产生自己的磁场。由每个铜原子产生的磁场的方向可以在绝对意义上改变方向（例如，它可以从“向上”到“向下”）。如果两个或多个“量子单元”串联耦合，与每个原子相关的磁场的方向也可以在相对意义上改变方向-与其他原子核相关的磁场相比。该项目的目的是设计和合成分子框架，允许串联耦合的原子核产生的磁场之间的同时通信。系统地比较不同分子框架在不同长度尺度上介导这些原子相关磁场之间的通信的能力，将为这些相互作用如何发生提供基本的理解。这一新的理解可以应用于合成更好的分子框架，以用于量子计算应用。本项目属于EPSRC物理科学研究领域的福尔斯。该项目将在哈里·L教授的监督下进行。安德森（化学，牛津大学）和教授Lapo Bogani（材料，牛津大学）与教授克里斯蒂安Timmel（化学，牛津大学）合作。

The invention of molecular magnets makes it possible to craft atomically-precise magnetic systems, including molecular equivalents of 'regular-life'-sized magnets. Molecular magnetic compounds are used in medical imaging where they are employed as MRI contrast agents and are routinely used to visualise the structure of internal organs and other bodily structures, as well as tumours. Molecular magnetic clusters also find application in cryogenics, where demagnetisation-magnetisation cycles allows entropy-driven heat absorption. This can be used to cool systems to the microkelvin regime - to millionths of a degree above absolute zero.A more futuristic application of molecular magnetic systems is in quantum computing, which requires controlled organisation of and communication between 'quantum units'. One example of such quantum units is the atoms of specific elements, e.g. copper. These copper atoms act as tiny magnets. Just as a magnetic field is generated by an ordinary sized magnet, the atoms generate their own magnetic field. The direction of the magnetic field generated by each copper atom can change direction in an absolute sense (e.g. it can go from 'up' to 'down'). If two or more 'quantum units' are coupled in series, the direction of the magnetic field associated with each atom can also change direction in a relative sense - in comparison with other nucleus-contingent magnetic fields. The aim of this project is to design and synthesise molecular frameworks which allow simultaneous communication between the magnetic fields generated by nuclei coupled in series. Systematic comparison of the capacity of different molecular frameworks to mediate communication between these atom-contingent magnetic fields across different length scales will afford fundamental understanding of how these interactions occur. This new understanding can be applied to the synthesis of better molecular frameworks for quantum computing applications.This project falls within the EPSRC physical sciences research area. This project will be under the supervision of Professor Harry L. Anderson (Chemistry, Oxford) and Professor Lapo Bogani (Materials, Oxford) in collaboration with Professor Christiane Timmel (Chemistry, Oxford).