基于氮杂环-卡宾类有机配体的新型蓝光铜配合物的分子设计、结构调控及光学特性

The design、synthesis and properties studies of highly efficient blue emitting material molecular have attracted considerable interest since blue light is indispensable requirement for obtaining the full-color display and solid-state lighting devices. However, blue emitting materials are mostly based on the heavy-metal complexes, such as those with ruthenium (III), iridium (III), platinum (II), and osmium (II). These metals are rare, expensive, and toxic. Furthermore, the upper lying metal-centered states (3MC) of the blue phosphors are undesired. To resolve these questions, there is interest in developing blue luminescent complexes of the earth-abundant, cheap, and environmentally friendly metal, copper (I). In this project, the novel N-heterocyclic-carbon ligands with the high LUMO energy and bulky PP ligands will be employed to synthesize a series of copper (I) complexes based on the design strategy to increase the HOMO-LUMO energy gaps. A comparison of different electron-donating or -withdrawing groups introduced into the involved copper complexes will allow investigating the relationships between excited state structures, energy order position and luminescent behaviors. We hope that the study could provide useful information for the design of new high-efficiency blue emitting materials.

蓝光是全色显示技术和固态发光器件不必可少的关键组成要素，所以高效蓝光功能材料的分子设计、合成及特性研究具有重要的意义。但目前大多数用于制备蓝光分子材料的过渡金属如钌、铱、铂、锇等，除储量低、价格昂贵、污染环境外，其金属中心态3MC则严重制约了材料的发光效率。为解决这些问题，本项目拟采用含量高、廉价、环境友好的Cu(I)配合物来制备新的蓝光功能材料。依据扩大HOMO-LUMO能级带隙的分子设计策略，利用具有较高LUMO能级的新型杂环类卡宾有机配体和高效发光辅助配体(膦配体)，通过一系列不同电子特性基团的引入，设计合成一系列Cu(I)配合物，系统研究配合物激发态结构、能级次序与其发光行为之间的关系，探索实现优良发光的蓝光Cu(I)配合物分子设计的规律和方法，这无疑对新型Cu配合物光功能材料的应用具有重要意义。

蓝光是全色显示技术和固态发光器件不必可少的关键组成要素，所以高效蓝光功能材料的分子设计、合成及特性研究具有重要的意义。但目前大多数用于制备蓝光分子材料的过渡金属如钌、铱、铂、锇等，除储量低、价格昂贵、污染环境外，其金属中心态3MC则严重制约了材料的发光效率。我们研究的主要内容基于卡宾配体的修饰和相应取代基的变化，对卡宾铜配合物的能级进行有效地调控，实现了蓝光铜配合物的设计及合成工作。取得如下重要结果或发现（1）、四配位卡宾铜配合物制备方法的建立；（2）、不同卡宾配体及取代基对卡宾铜配合物光学特性的调控；（3）、发蓝光卡宾铜配合物的结构设计及功能实现。项目执行期内，在J. Mol. Struct、J. Organomet. Chem、J. Coord. Chem等期刊上发表SCI论文9篇，申请发明专利1项，培养研究生4名，已全面完成项目计划内容。