基于噻吩[3,4-c]并吡咯烷二酮新型受体的制备及其给体-受体共轭聚合物光伏性能研究

项目名称： 基于噻吩[3,4-c]并吡咯烷二酮新型受体的制备及其给体-受体共轭聚合物光伏性能研究

项目编号： No.61204020

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 信息四处

项目作者： 王洪宇

作者单位： 上海大学

项目金额： 30万元

中文摘要： 噻吩[3,4-c]并吡咯烷二酮（TPD）是一类新型高效的受体材料，其在D-A共轭聚合物和新型光伏材料中的应用正成为研究的热点。但是其电子云分布在酰亚胺的氮原子处存在节点，目前针对酰亚胺上的侧基的结构优化都不能实现对TPD受体的共轭性和吸电子性能的调节。本项目利用氨基（NH2）与羰基（C=O）反应生成亚胺（imine）的特性，采用二氨基化合物与3,4-噻吩二甲酸酐环化生成噻吩咪唑或噻吩嘧啶芳香杂环，首次调节TPD受体的共轭结构和吸电子性能；制备基于该新型受体的D-A共轭聚合物，通过调节给体和受体来优化D-A共轭聚合物的吸收特性和能级结构；并进一步在给体侧基上引入共轭基团增强D-A共轭聚合物在短波区的吸收，通过优化给体、TPD 受体和侧基实现D-A 共轭聚合物的吸收和能级结构最优化。本研究有益于揭示D-A结构对能级调控的规律，阐明分子内能量传递和电子转移过程，为新型光伏材料的结构设计提供基础。

中文关键词： 噻吩[3;4-c]并吡咯烷二酮；吡咯并吡咯二酮；炔键；给体-受体；聚集态形貌

英文摘要： Thieno[3,4-c]pyrrole-4,6-dione (TPD) derivatives have attracted a lot of attention since they can lead to high-power conversion efficiencies when used as acceptors in donor-acceptor conjugated polymers in organic solar cells. However, the substituents at the imide position of TPD usually exhibit negligible affect on conjugation and electron-withdrawing capability because nodes in the HOMO and LUMO at the imide nitrogen reduce the coupling between the TPD unit and the imide substituents to a minimum. Herein we utilize the reaction of amino (NH2) and carbonyl (C=O) to generate imine. This project contains following three issues: (1) Fusing five-membered ring "imidazole" or six-membered ring "pyrimidine" to imide position of TPD. The conjugation and electron-withdrawing capability of TPD could be effectively tuned by changing fused aromatic heterocyclic compounds. (2) Synthesizing the D-A conjugated polymers based on modified TPD-based acceptors. The band gaps and HOMO and LUMO energy levels of the resulting D-A conjugated polymers could be tuned by donors and acceptors. (3) Increasing absorption of the D-A conjugated polymers in short wavelength region by introducing the conjugated substituents to side chains. In a word, we will optimize donors, TPD acceptors and side chains to tune the absorption and molecular en

英文关键词： thieno[3;4-c]pyrrole-4;6-dione；diketopyrrolopyrrole；ethynylene；donor-acceptor；aggregation morphology