Molecular Magnetism

这个学生项目的主要目标是合成新的、混合的过渡金属络合物并对其进行充分表征(技术包括单晶X射线衍射、粉末X射线衍射、质谱分析、核磁共振等)。主要的合成目标将是具有磁性的分子材料，通过扩展先前报道的七核混合金属轮子的“家族”。因此，将使用超导量子干涉设备(SQUID)磁强计进行磁性表征。将对这些数据进行分析，并建立一个理论模型来适应这些数据。通过研究一系列相关的络合物，这项研究试图帮助现代理解磁-结构关系，并帮助开发具有理想磁性的络合物的合成原理。其中一个理想的目标是单分子磁体(SMM)。据预言，SMM将为第二次量子革命做出巨大贡献。由于其磁性的量子性质，单分子磁体非常适合组成量子计算机的硬件，它可以在几分钟和几个小时内完成计算，而现代经典计算机需要数十亿年的时间。该项目的合成方面还寻求合成溶液稳定的磁性络合物，通过促进合成后修饰和一般提高其加工性来产生更多的技术应用。溶液稳定的多核配合物也有可能在催化中使用。鉴于存在大量的金属中心，需要研究的络合物(即。7个金属中心)它们可能催化水的氧化，这对实现人工光合作用是有用的。因此，在适当的时候，将研究这些络合物的电化学性质，以评估它们是否适合这一过程。

The key aims of this student project are to synthesise novel, mixed transition metal complexes and to fully characterise them (techniques including single crystal X-ray diffraction, powder X-ray diffraction, mass spectrometry, nuclear magnetic resonance and others). The primary synthetic target will be magnetically interesting molecular materials by extending a "family" of previously reported heptanuclear mixed metal wheels. As such, magnetic characterisation will be carried out using a SQUID (Superconducting QUantum Interference Device) magnetometer. This data will be analysed and a theoretical model created to fit the data. By investigating a range of related complexes this research seeks to contribute to modern understanding of magneto-structural relationships and aid in the development of a synthetic rationale towards complexes with desirable magnetic properties. One such desirable target are single molecule magnets (SMMs). SMMs are prophesised to contribute greatly to the second quantum revolution. Due to the quantum nature of their magnetic properties, single molecule magnets are well suited to form the hardware of quantum computers, which can perform calculations in minutes and hours that would take modern, classical computers billions of years. The synthetic aspect of this project also seeks to synthesise solution-stable magnetic complexes, which yields more technologically applications by facilitating post synthetic modifications and generally increasing their processability. Solution stable multinuclear complexes also have the potential for use in catalysis. Given the large number of metal centres present the complexes to be investigated (ie. 7 metals centres) it is possible they could catalyse the oxidation of water, which is useful to work towards artificial photosynthesis. Therefore, when appropriate the electrochemical properties of these complexes will be studied to assess their suitability to this process.