具有表面活性的酸功能化离子液体催化不饱和化合物的C-H烷基化反应研究

项目名称： 具有表面活性的酸功能化离子液体催化不饱和化合物的C-H烷基化反应研究

项目编号： No.21303231

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 韩峰

作者单位： 中国科学院兰州化学物理研究所

项目金额： 25万元

中文摘要： 作为一类性能独特的新型介质和功能化材料，离子液体被广泛应用于各个领域。基于其独特的可设计性，本项目拟采用活性官能团接枝于常规离子液体的策略，设计并制备系列具有表面活性的酸功能化离子液体，研究其特殊的表面活性与结构的关系；然后利用胶束催化将其应用于不饱和化合物的C-H烷基化反应中构建新的C-C键，发展系列高效、环境友好、可回收使用的催化体系；同时结合量化计算研究催化剂中活性基团、电子效应、阴阳离子结构、取代基效应对催化性能的影响，获得离子液体结构和催化性能之间的关系，明确影响离子液体催化活性的关键因素，探讨催化剂中活性位点对反应底物的活化模式；此外，利用ESI-MS、NMR、HRMS、React-IR 等分析测试手段捕获反应中间体，为反应机理的提出提供直接证据，并为设计出更新更优秀的功能化离子液体催化剂提供理论基础和科学依据。

中文关键词： 离子液体；酸功能化；表面活性；胶束催化；烷基化反应

英文摘要： Ionic liquids have been widely applied to various domains due to unique performance of new-style medium and functional materials. Based on their particular designability, this project is aimed at adopting the strategy of grafting functional groups with different activities in traditional ionic liquids to design and synthesize a series of acidic-functionalized ionic liquids with surface activity, investigating the relationship between surface activity and structure and applying them as a highly efficient, eco-friendly, reusable catalyst to achievable C-H alkylation reactions of unsaturated compounds by means of micellar catalysis to construct carbon-carbon bonds. Coupled with quantum chemical calculation, it will be investigated how factors of active groups, electronic effect, structures of anion/cation and substituent effect in the developed catalysts affect catalytic performance to obtain the relationship between structures of ionic liquids and catalytic performances. Based on that, key factors affecting catalytic activity of ionic liquids will be revealed, activation mode of substrate by active sites of the catalysts will be discussed, and reaction mechanism of catalytic reactions will be shown. In addition, reaction intermediates will be captured by use of analysis and detection methods, such as ESI-MS, NMR,

英文关键词： Ionic liquids；acidic-functionlization；surface activity；micellar catalysis；alkylation reaction