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

该项目涉及钯催化的碳酸C-C偶联反应的研究。动力学和机械研究（物理有机化学）将与先进的电子显微镜相结合（使用卡迪夫大学全新的畸变校正扫描透射电子显微镜（EM）在转化研究中心）。定制数据分析方法将用于开发对反应的定量和机理理解，以支持反应条件的合理选择，并扩大和减少钯的需求。我们将专注于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，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.