Organocatalytic Alcohol Activation

该项目涉及新型氧化膦催化剂的设计、合成和开发及其在醇和其他含羟基官能团(如羧酸和磺酸)的活化中的应用。潜在的反应发展领域将包括新的碳-氮和碳-碳键形成过程。在第二条线索中，我们还将研究适合于消除醇以生成烯烃的催化剂和Bronsted酸组合。后一个主题将需要进一步的催化剂优化，这将得到QM计算的帮助，我们将使用QM计算来探索催化循环的基本步骤，特别是产品确定步骤。

This project involves the design, synthesis and development of novel phosphine oxide catalysts and their application in the activation of alcohols and other hydroxyl-containing functional groups such as carboxylic and sulfonic acids. Potential areas of reaction development will include new carbon-nitrogen and carbon-carbon bond-forming processes. In a second strand we will also investigate catalysts and Bronsted acid combinations that are suitable for the elimination of alcohols to afford alkenes. The latter topic will require further catalyst optimisation and this will be aided by QM calculations which we will use to explore the elementary steps of the catalytic cycle and the product-determining step in particular.