Mechanistic Studies of palladium-catalysed C-C coupling reactions of carbon acids

该项目涉及钯催化的碳酸的C-C偶联反应的研究。动力学和机械学研究(物理、有机化学)将与先进的电子显微镜(使用卡迪夫大学在翻译研究中心的全新象差校正扫描电子显微镜(EM))相结合。自定义数据分析方法将用于发展对反应的定量和机理理解，以支持合理选择反应条件，并扩大和减少对钯的需求。我们将重点了解钯催化剂在反应条件下的行为，包括任何纳米颗粒的形成，以及反应物、催化剂、副产物和副产物、溶剂和添加剂之间的相互作用。例如，您将使用人工智能将反应动力学与EM图像分析相关联。

The project involves studies of Pd-catalysed C-C coupling reactions of carbon acids. Kinetic and mechanistic studies (physical organic chemistry) will be combined with advanced electron microscopy (using Cardiff University's brand-new Aberration-Corrected Scanning Transmission Electron Microscope (EM) at the Translational Research Hub). Custom data analysis approaches will be used to develop quantitative and mechanistic understanding of the reactions to support rational choice of reaction conditions and scale up and reduce palladium need. We will focus on understanding the behaviour of palladium catalysts under reaction conditions, including any nanoparticle formation, and the interplay between reactants, catalyst, by- and side-products, solvents and additives. For example, you will correlate reaction kinetics with analysis of EM images using artificial intelligence.