杂环卤代物电化学羧化固定CO2的研究

项目名称： 杂环卤代物电化学羧化固定CO2的研究

项目编号： No.21503104

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 陈宝丽

作者单位： 聊城大学

项目金额： 21万元

中文摘要： CO2资源化应用，是应对“温室效应”问题的有效途径，而选择合适的方法将CO2固定利用是CO2资源化应用的关键。本项目在杂环羧酸类化合物在太阳能电池、医学、生物、农药、功能性材料行业等具有重要应用的基础上，拟开展CO2与杂环卤代物的电化学羧化反应研究，应用电化学技术，在温和条件下，脱去杂环卤代物分子的卤素，引入羧基，从而获得杂环羧酸及其衍生物，进而开发固定利用CO2的多样性。本项目将围绕电羧化反应的效率和多样性问题，采用循环伏安法和大锅电解法详细考察羧化过程中各因素（包括电解条件、底物取代基、底物种类等）的影响规律，利用电化学测试技术、动力学方法和密度泛涵计算（DFT）等深入了解羧化历程，揭示电催化机理，提高羧化产物的产率和效率，拓展电羧化反应多样性，合成具有高附加值的杂环羧酸及其衍生物。本项目将对温和条件下温室气体CO2资源化固定利用提供新途径，为绿色环保地合成杂环羧酸类化合物开辟新思路。

中文关键词： 二氧化碳；杂环卤代物；电还原；电催化；电羧化

英文摘要： Application of CO2 resources is the effective way to deal with the problem of greenhouse effect, and to choose the appropriate method to fix and utilize CO2 is the key to CO2 resources application. In view of the important applications of heterocyclic carboxylic acid compounds in solar cells, medicine, biology, pesticide, functional materials industry and so on, the project aims to study the electrocarboxylation of heterocyclic halides with CO2, removing the halogen, introducing the carboxyl group, and obtaining the heterocyclic carboxylic acids and the derivatives under mild conditions with the electrochemical techniques. In this project the electrolysis conditions, substrate substituents, and substrate species will be investigated systematically by cyclic voltammetry and bulk electrolysis to improve the electrocarboxylation efficiency. The reaction progresses will be studied by the use of electrochemical techniques, kinetic analysis and DFT calculations, to deeply understand the carboxylation process and electrocatalytic mechamism. This study will not only provide new approachs for the application of CO2 resources under mild conditions, but also open up a new method for the environment-friendly synthesis of heterocyclic carboxylic acid compounds.

英文关键词： Carbon dioxide;Heterocyclic halides;Electroreduction; Electrocatalysis;Electrocarboxylation