新型碗状咔唑型氮杂素馨烯的设计合成及可控功能化研究

Compared with traditional inorganic electronic materials, organic molecular conductor possesses a unique controllable molecular structure, photoelectric property and regulation of self-assembly behavior, thus it can be widely applied in organic photovoltaic cells, photoelectric diode, field effect transistor, etc. However, in the process of preparation of organic molecular conductor, there are still a lot of shortages, such as lacking structure diversity, uncontrolled functionalization and poorly self-assemble ability. This research project is aiming at a kind of important organic functional molecules of polycyclic aromatic hydrocarbons. First, we design and synthesize a novel bowl-shaped carbazole triazasumanenes，the photoelectric properties and intermolecular interactions of which are regulated by chemical doping and structural modification. Then, since this kind of compound is a kind of novel electron donors, it shows good configuration with fullerenes, which could form a series of new supramolecular self-assemblies. Through studying the crystal structure of the supramolecular self-assemblies and characterization of physics, its physical properties could be characterized. Finally, by grouping contrast, we will further study the molecular structure of supramolecular self-assemblies and the relationship between the condensation configuration and performance, which will lay the foundation for developing the corresponding electronic components, and pave the way for its application in the field of photoelectric material.

与传统的无机电子材料相比，有机分子导体由于具有独特可调控的分子结构、光电性能和自组装行为，因而可以应用于有机光伏电池、光电二极管和场效应晶体管等领域。但是在前期的研究过程中制备的有机分子导体，仍存在着结构单一、不易可控功能化及自组装能力较差等问题。鉴于此，本项目拟从目前一类重要的功能有机分子-共轭稠环芳烃入手，设计和合成一类具有特殊碗状结构的咔唑型氮杂素馨烯，并通过化学掺杂和化学修饰调控其结构、光电性能和分子间相互作用；其次，由于此类化合物是一类新型电子给体，它与富勒烯之间存在良好的构型匹配，可以形成多种具有Donor-Acceptor结构的超分子自组装体，通过对超分子自组装体进行晶体结构解析以及物理学表征，可以测定其物理学性能；最后采用分组对比的方法，阐明其分子结构、凝聚态结构与性能之间的关系，从而为相应电子元件的开发奠定理论和技术基础，同时为其在光电材料领域的应用铺平道路。

与传统的无机电子材料相比，有机分子导体由于具有独特可调控的分子结构、光电性能和自组装行为，因而可以应用于有机光伏电池、光电二极管和场效应晶体管等领域。但是在前期的研究过程中制备的有机分子导体，仍存在着结构单一、不易可控功能化及自组装能力较差等问题。鉴于此，本项目拟从目前一类重要的功能有机分子-共轭稠环芳烃入手，设计和合成一类具有特殊结构的咔唑型氮杂素馨烯，并通过化学掺杂和化学修饰调控其结构、光电性能和分子间相互作用；其次，由于此类化合物是一类新型电子给体，它与富勒烯之间存在良好的构型匹配，可以形成多种具有Donor-Acceptor结构的超分子自组装体，通过对超分子自组装体进行晶体结构解析以及物理学表征，可以测定其物理学性能；最后采用分组对比的方法，阐明其分子结构、凝聚态结构与性能之间的关系，从而为相应电子元件的开发奠定理论和技术基础，同时为其在光电材料领域的应用铺平道路。

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