Experimental Mechanistic Studies of Catalytic Reactions

该项目的目的是利用通过现代机械方法获得的知识来改进催化系统。为了收集机理研究所需的数据，我们将使用现代反应监测工具，如流动探针NMR和ReactIR，并使用自动进样器进行离线监测。获得的数据将通过基于整个反应剖面检查的动力学分析进行分析，例如最近开发的变时间归一化分析（VTNA）。通过机理研究获得的信息将用于改进化学反应的周转频率、周转次数和所需起始材料的减少。我们设想，一些改进将需要在反应过程中控制一种或多种反应组分（底物、催化剂或添加剂）的添加情况。EPSRC相关研究领域：催化、合成有机化学、化学反应动力学与机理、控制工程。研究主题：物理科学和制造业的未来。

The aim of the project is to improve catalytic systems using the knowledge obtained through modern mechanistic methodologies.To collect the data for the mechanistic studies, we will use modern reaction monitoring tools, such as flow probe NMR and ReactIR, as well as use autosamplers for off-line monitoring. The data obtained will be analysed by kinetic analyses based on the examination of entire reaction profiles, such as the recently developed Variable Time Normalization Analysis (VTNA).The information obtained through the mechanistic studies will be used to improve the chemical reactions in terms of turnover frequencies, turnover numbers and reduction of starting material required. We envision that some of the improvements will require a controlled addition profile during the course of the reaction of one or more reaction components: substrates, catalyst or additives. Relevant EPSRC research areas to the project: Catalysis, Synthetic Organic Chemistry, Chemical Reaction Dynamics and Mechanisms, Control Engineering. Research Themes: Physical Sciences and Manufacturing the future.