金属催化环加成反应机理研究和反应发展

化学反应机理研究旨在从分子水平上揭示化学反应发生的详细历程，并据此指导合成化学家进行反应条件的优化与新反应的设计。本基金一方面将通过计算化学（必要时辅以实验手段）对一系列金属催化的环加成反应的机理进行研究；另一方面将利用所获得的机理信息优化和设计新的金属催化的环加成反应，并将开展实验加以验证，以期发展出新颖的、实用的环加成反应。本基金的开展和完成将加深化学家对金属催化的环加成反应的理解。同时，本项目拟发展的多种构建不同环系结构的环加成反应将有望为化学家提供高效的合成工具，帮助其合成具有复杂环状结构的天然产物、药物、材料等功能分子。

Studying reaction mechanisms aims to understand how reactions take place, based on which synthetic chemists are able to optimize reaction conditions and design new reactions. In this grant, we propose to use computational chemistry, together with experimental techniques if necessary, to study a series of transition-metal-catalyzed cycloadditions in order to get mechanistic information of these reactions at the molecular level. On the other hand, we will also design new transition-metal-catalyzed cycloadditions using mechanistic insights from the above mentioned mechanistic studies. Of the same importance, experimental tests of these designed reactions will be carried out, aspiring to develop a series of transition-metal-catalyzed cycloadditions that would become powerful tools in the synthesis of complex cyclic functional molecules, such as natural products, drugs, and materials.