反芳香norcorrole衍生物的合成及其在锂离子电池正极材料中的应用

The demand for lithium-ion batteries with better performance for use in electric vehicles and renewable energy, as well as in small appliances, has increased. The performance of rechargeable lithium batteries is limited by their electrodes, especially the cathode. Considerable attention has been paid to the development of new organic cathode active material due to their safety and environmentally benign. .In this project, we plan to synthesis of norcorrole derivatives with adjustable electrochemical properties, and apply them as cathode active material for a rechargeable lithium-ion battery. the electrochemical properties of norcorrole derivatives will be studied by cyclic voltammetry and quantum chemistry calculation; Finally these norcorrole derivatives are used as cathode active material for a rechargeable lithium-ion battery. the relationship between the structure of norcorrole, electrochemical properties and the performance of lithium-ion battery will be summarized, and the high-performance cathode materials will be screened out. The significance of this project lies not only in the way to understand the relations of norcorrole structure and electrochemical properties which will be beneficial to it's potential application in other field but also in the way it will stimulate us to think in new directions for the future organic cathode material for lithium batteries.

电动交通工具和绿色能源的发展对锂离子电池的性能提出了更高的要求，而正极材料是提高锂离子电池性能的关键因素之一。由于在安全性、可持续性和环境友好方面的优势，有机正极材料已成为正极材料研发的一个重要领域。.本项目拟利用反芳香norcorrole的高反应活性和反应选择性以及其电化学性质对结构的高敏感性合成电化学性质可调的含有不同取代基性质、数目和共轭扩展程度的norcorrole衍生物，通过循环伏安方法结合理论计算研究norcorrole衍生物的电化学性质；最后将不同电化学性质的norcorrole衍生物作为正极材料应用于可充电锂离子电池；归纳、总结norcorrole衍生物的结构/电化学性质-锂离子电池性能之间的构效关系规律，为探索高性能的锂离子电池有机正极材料提供新的研究基础和研究方法。

通过项目组成员的集体努力，本项目按计划基本如期完成。按照研究计划，本项目以反芳香norcorrole衍生物的合成为主线。主要内容概述如下：.我们对norcorrole的衍生化反应进行了系统研究，Norcorrole与活泼亚甲基化合物的碳负离子反应合成得到了一系列活泼亚甲基取代的norcorrole衍生物。由氨基三氮唑原位生成的氮烯插入Norcorrole得到了结构新颖的嘧啶取代norcorrole二元体。Norcorrole与腈亚胺的1,3-偶极环加成反应合成得到了一系列吡唑啉稠合norcorrole衍生物。NH2-norcorrole与芳香醛反应得到一系列吡啶稠和双norcorrole衍生物。norcorrole与芳胺在亚碘酰苯的存在下室温反应以中等收率得到一系列氮杂咔咯衍生物。反芳香的NO2-norcorrole、丁炔二酸二甲酯和三正丁基磷在室温下反应合成得到了具有芳香性的镍咔咯。上述所有norcorrole衍生物都通过了高分辨质谱、核磁、紫外可见光谱、X射线单晶衍射分析等各种手段的表征，通过循环伏安对电化学性质进行了研究，并通过量化计算对norcorrole衍生物的性质进行了解释。.这些成果为进一步研究norcorrole衍生物的合成与潜在应用提供了提供了方法和思路，也为进一步研究其他的反芳香性化合物的性质以及潜在的应用前景提供了思路。