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含芳香稠合构筑单元扩展卟啉的合成及其结构与光学性质的相关性研究

批准号21601052 学科分类功能配合物化学 ( B010503 )
项目负责人常毅 负责人职称讲师 依托单位河南师范大学
资助金额20.00
万元
项目类别青年科学基金项目 研究期限2017 年 01 月 01 日 至
2019 年 12 月 31 日
中文主题词扩展卟啉;近红外;芳香稠合;构筑单元;光敏剂
英文主题词Expanded porphyrin;Near-infrared;Aromatic-fused;Building blocks;Photosensitizer

摘要

中文摘要 卟啉类化合物具有特殊的结构和光学性能,在光动力治疗领域有着广泛的应用。近红外区域的吸收缺陷是困扰卟啉类光敏剂设计的一个重要问题。卟啉π-电子共轭体系扩展,是在结构修饰的基础上,促使吸收光谱红移的一种合理设计手段。本项目拟在理论计算辅助的基础上,依据该类化合物机构刚性和π-电子体系影响其光学性质的基本原理,结合扩展卟啉和芳香稠合的设计手段,选取大小较为适宜的噻吩吡咯、噻吩并二吡咯、咔唑等芳环稠合体系作为构筑单元,合成在特定光谱区间有较理想吸收的扩展卟啉化合物;选取含有S、Se的构筑单元,利用重原子效应研究该效应对促进光谱红移效果和提高活性氧产生效率的实际效果;通过比较结构系列变化的新型目标化合物的光学性能,探索结构和光学性能之间的关系。该项目的研究成果对认识扩展卟啉化合物的结构与光学性质关系有重要的理论意义,同时可为设计合成新一代光敏剂提供理论指导和技术支持。
英文摘要 Porphyrinoids are widely used in the field of photodynamic therapy due to their special structure and excellent optical properties. But the drawback of absorption in the near-infrared region has always be an important issue in the design of porphyrin photosensitizer. Expansion of π-conjugated network is a common method used for modification of porphyrin structures, which lead to a reasonable red shift in the absorption spectra. Rigid structure and π-conjugated system of porphyrinoids can affect their optical properties. There are inner relationship between them. In this project, with the help of theoretical calculation, two methods, expanded and aromatic-fused manner for porphyrin modification, are chosen to regulate the absorption spectra. The fused building blocks, such as thienopyrrole, thieno-bipyrrole and carbazole, which have proper sizes and fused structures are used in the construction of expanded porphyrin. As a result, the planarity and size of π-conjugated system of macrocycles are controlled. There should be a better absorption in the given spectrum interval. Besides, the heavy atom effect which has positive effect in making redshift of absorption spectrum and in improving the efficiency in generation of reactive oxygen species, is also studied in this project. It is carried out by choosing building blocks which containing S and Se atoms for the synthesis of expanded porphyrins. The aim, exploring the relationship between structures and optical properties, will be achieved by comparing series of optical changes between different structures. Results from this project have important theoretical significance in understanding the relationship between structure of expanded porphyrin and their optical property. They can also facilitate the rational design of a new generation of porphyrinoid photosensitizer.
结题摘要

成果

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