具有分子内硒-杂原子非共价键作用的共轭分子的设计与合成及其共轭聚合物的光电应用

Constructing highly planar conjugated polymers is the basis for achieving high performing materials with excellent mobilities. There are generally two methods to improve the planarity of the conjugated systems. The first method is to combine the neighboring aromatic rings with covalent bonds to form fused rings. However, this method usually needs complicated and tedious synthetic steps, which will increase the cost. The second one is to employ noncovalent interactions to hinder the free rotation of the neighboring rings, resulting in the enhancement of the planarity of the conjugated systems. This method has developed very fast as an important strategy to design high performing conjugated materials in recent years. However, the current “conformational locks” only focused on the “S…X” (X = O, N, F etc) interactions. Furthermore, there are different theories about the functions of “conformational locks”. This project will design and synthesize novel building blocks with “Se…X” conformational locks to study the influence of the “conformational locks” on the physicochemical properties of the building blocks. Furthermore, a series of novel conjugated polymers will be synthesized to explore their potential applications in opto-electronics. This project will not only develop new building blocks with “Se…X” conformational locks to provide abundant experimental evidences for the therotical studies, but also develop novel high performing conjugated polymers.

构建高共平面共轭聚合物是获得高迁移率材料的基础，通常有两种方法来提高共轭体系的共平面性：一种是通过共价键将相邻的芳香化联结起来，形成稠环结构以提高共轭体系的共平面性，然而该方法通常需要较复杂的合成步骤，增加材料的生产成本；第二种是通过非共价键作用形成“构象锁”结构，锁定相邻芳香环的自由旋转，提高共轭体系的共平面性；该方法近年来得到了迅速发展，已经成为设计高性能共轭材料的一种重要手段。然而目前的“构象锁”类型主要集中在硫…杂原子中，同时“构象锁”的理论研究仍然存在一些争议。针对上述问题，本课题将设计并合成具有硒…杂原子非成键“构象锁”的分子模块，研究“构象锁”引入对分子模块物化性能的影响；以此为基础合成一系列高共平面的共轭聚合物，探索该类共轭聚合物在光电领域的潜在应用。本研究将不但发展新型“构象锁”分子，为“构象锁”的理论研究提供更丰富的实验基础，同时也能够开发出新型高性能共轭聚合物材料。

近年来，非共价“构象锁”逐渐发展成为构建高迁移率有机/高分子半导体材料的重要设计思想之一，广泛的应用于材料的设计与合成中。.该项目构建了一系列具有硫-氧、硒-氧等非共价“构象锁”结构的有机/高分子半导体材料，并探索了其在有机太阳能电池、发光材料、光热治疗等多方面的应用。研究结果表明，构象锁结构的引入能够增强分子结构的平面性和刚性，提升材料的载流子迁移率等光电性能，并最终提升材料在相关应用中的性能。.因此，该项目进一步深入探索了非共价构象锁的构效关系，拓宽了其应用范围，促进了非共价构象锁这一原创分子设计思想的发展。