基于电子转移复合物构建自预警涂层及其性能研究

有机涂层的自预警功能为延长被保护金属材料的使用寿命提供了有效途径。响应及时、准确、普适性强的光、色响应功能因子的拓展，是自预警涂层走向实际应用的关键之一。受超分子自组装光、色转变特性的深刻启示，本项目利用电子给/受体（D/A）自组装形成电子转移复合物（CTCs）的光、色转变性能，借助微胶囊技术封装D、A制备光、色响应功能因子，构建一种新型自预警涂层。通过DFT/TD-DFT理论计算和涂层预警显色性能的系列研究，厘清D/A结构、组成对涂层预警显色性能的影响规律，优化涂层的构建方案，建立基于CTCs自预警涂层的理论设计与实验合成的联合指导机制；在此基础上，借助层层组装的制备策略构建涂层破损程度预警的新颖功能，建立光、色响应与涂层破损程度之间的预警关系；针对不同应用场景，探究涂层的环境响应性，建立涂层预警显色性能与环境条件之间的作用关系，推动基于D/A自组装的CTCs自预警涂层的实际应用。

The self-reporting function of organic coating provides an effective way to prolong the service life of protected metal materials. The development of light-color response molecules with fast, accurate and universal characteristics is one of the keys to the practical application of self-reporting coatings. Inspired by the light-color transition characteristics of supramolecular self-assembly, this project uses light-color conversion function in the process of self-assembly of electron donor and acceptor into electron transfer complex, and with the help of microcapsule technology to encapsulate D/A molecules and incorporate them into organic coatings. Through DFT and TD-DFT theoretical calculations and series of studies of light-color performance of the self-reporting coating, the relations between the reporting performance and structure or composition were clarified, the optimized design scheme was explored and the guiding mechanism for the theoretical design and experimental synthesis of the self-reporting coating based on CTCs was established. On this basis, the novel coating damage degree reporting function was constructed by the preparation strategy of layer by layer assembly, and the relationship between response color and coating damage degree was established. In view of different application scenarios, this project explore the environmental response function, and construct the relationship between response performance and environmental conditions, promote the practical application of CTCs self-reporting coating based on D/A self-assembly.