一种新型中性一价铜配合物的合成、晶体结构与光物理性能

doi:10.7517/j.issn.1674-0475.2018.01.006

摘要/Abstract

摘要： 利用二亚胺配体和双齿膦配体成功合成了一种新的中性一价铜配合物，通过¹HNMR、¹³CNMR、³¹PNMR和X-射线单晶衍射等手段对配合物结构进行了表征。该配合物为典型的扭曲四面体构型，在固态具有较高的稳定性。理论计算显示，中心金属离子对最高电子占据轨道（HOMO）和最低电子未占轨道（LUMO）贡献很小，且配合物的最低能量电子跃迁主要是配体间的电荷跃迁（LLCT）。该配合物在固态表现出了较高效率和长寿命的室温发光。通过对比298 K和77 K温度下的光物理数据，确定了该配合物的室温发射光为磷光。

关键词: 一价铜配合物, 晶体结构, 磷光, 有机电致发光器件

Abstract: A new neutral heteroleptic copper(Ⅰ) complex supported by diimine and diphosphine ligands was successfully synthesized and characterized by ¹HNMR, ¹³CNMR, ³¹PNMR and single-crystal X-ray diffraction. This complex adopts a typical distorted tetrahedral configuration and shows high stability in solid state. Theory calculation results show the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the complex have little metal character, and the lowest energy electronic transition is mainly ligand-to-ligand charge transfer (LLCT) transition. This complex shows intense emission with relative high efficiency and long lifetime in solid state, and analysis of the photophysical data recorded at 298 K and 77 K indicates the emission is phosphorescence stemming from triplet state.

Key words: copper(Ⅰ)complex, crystal structure, phosphorescence, OLEDs

孙晓娟, 王志强, 张智强, 绪连彩. 一种新型中性一价铜配合物的合成、晶体结构与光物理性能[J]. 影像科学与光化学, 2018, 36(1): 64-72.

SUN Xiaojuan, WANG Zhiqiang, ZHANG Zhiqiang, XU Liancai. Synthesis,Structure and Photophysical Properties of a New Neutral Copper (Ⅰ) Complex[J]. Imaging Science and Photochemistry, 2018, 36(1): 64-72.

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