有机金属配合物类小分子和聚合物受体材料的设计、合成、性质研究及光伏应用

二茂铁具有立体夹心结构、丰富的π电子、高稳定性，在电化学和非线性光学领域显示出独特的应用。β-二酮金属配合物在发光领域具有优异的性质。二茂铁和未取代β-二酮金属配合物均具有共轭体系小、LUMO能级高、吸收范围窄、结晶性能不易调节的缺点，不适合用作有机太阳能电池的受体材料。本项目拟将苝酰亚胺和萘酰亚胺分子引入到β-二酮金属配合物和二茂铁中，构筑小分子和聚合物受体材料，实现以下目的：（1）引入酰亚胺吸电子基团，降低分子的LUMO能级，增强电子接受能力；（2）扩大共轭体系、增加吸收范围；（3）通过酰亚胺N上取代基调解溶解性、结晶性；（4）通过金属原子的引入，得到三线态受体，增加载流子迁移率。拟研究清楚目标分子的结构与光谱、能级、结晶性、相分离、载流子迁移率等性质和光伏应用的构效关系，拟得到若干电子接受能力强、载流子迁移率高、溶解性和结晶性可调的受体材料，并研究其光伏应用。

Ferrocene and its derivatives with high stability, rich π electrons, and special sandwich structures have shown unique application in electrochemistry and nonlinear optics. β-Diketonate metal complexes display excellent properties in the field of organic light emitting. However, above compounds are unsuitable for organic acceptors in solar cells, because they are with small conjugated cores, low LUMO energy levels, narrow absorption range, and improper crystalline. Herein, organic acceptors were constructed by introducing perylene diimides and naphthalene diimides to β-diketonate complexes and ferrocene. The following goals are expected: 1) lowering LUMO energy levels of compounds and increasing electron accepting ability; 2) extending the conjugation and absorption range; 3) adjusting their solubility and crystalline by substituents at N atoms; 4) obtaining triplet and high mobility acceptors by introduction of metal atoms. Their optical properties, energy levels, crystalline, phase separation, carrier mobility, and photovoltaic applications will be investigated. Some excellent acceptors with strong electron accepting ability, high carrier mobility, adjustable solubility, and well photovoltaic application are expected.