CO2参与的手性环状碳酸酯电合成研究

项目名称： CO2参与的手性环状碳酸酯电合成研究

项目编号： No.21473060

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 王欢

作者单位： 华东师范大学

项目金额： 90万元

中文摘要： 温室气体CO2的绿色化高效转化、循环利用对我国、乃至全球社会经济的可持续发展具有重大意义。电化学技术可以在常温常压下实现CO2的固定利用，其中CO2与环氧化合物环加成制备环状碳酸酯反应的原子经济性高达100%，完全符合绿色化学的理念。而手性催化、不对称合成更是具有重大挑战性的基础和前沿研究方向。本项目拟结合上述几方面的特点，从CO2参与的手性环状碳酸酯电合成反应入手，围绕手性诱导的立体选择性和催化效率等核心问题，拓展不对称电合成反应，详细考察催化过程中的各因素（包括电解条件、手性催化剂结构、底物取代基等）的影响规律，利用电化学测试技术、波谱技术、动力学方法和DFT计算等深入了解反应历程，揭示手性诱导和电催化机理，为温和条件下CO2的高效转化利用及不对称电合成等方面的发展提供理论基础和技术支撑。

中文关键词： 二氧化碳；有机碳酸酯；不对称合成；电催化

英文摘要： Efficient conversion and recycling of greenhouse gas CO2 becomes more and more significant to the sustainable development of the global economy. The fixation and utilization of CO2 could be achieved at room temperature and normal pressure efficiently by electrochemistry, including electrosynthesis of cyclic carbonates from CO2 and epoxides, which is a 100%-atom economical and environmentally friendly reaction. On the other hand, chiral catalysis, asymmetric synthesis is major challenge in fundamental researches and frontier areas. In this project, electrosynthesis of chiral cyclic carbonates via asymmetric cycloaddition of atmospheric CO2 and racemic epoxides by will be carried out. The effects of electrolysis conditions, chiral catalyst and substrate structure will be investigated systematically, to improve the stereoselectivity and catalytic efficiency. The reaction progresses will be studied by the use of electrochemical techniques, spectroscopies, kinetic analysis and DFT calculations, to deeply understand the chiral induction and electrocatalytic mechanism. We also hope this study would provide theoretical foundation and technical support for the development of efficient conversion of CO2 and electrochemical asymmetric synthesis under mild conditions.

英文关键词： Carbon dioxide;organic carbonate;asymmetric synthesis;electrocatalysis