高等学校化学学报

高等学校化学学报 ›› 2005, Vol. 26 ›› Issue (2): 317.

• 研究论文 • 上一篇    下一篇

磷光配合物(L)Re(CO)3Cl(L=α,α-diamine)的电化学性质和电子能级

李茂1, 张明1, 曾明1, 张武1, 杨兵1, 马於光1, 李叶芝1, 杨丽2, 封继康2   

  1. 1. 吉林大学超分子结构与材料教育部重点实验室;
    2. 吉林大学理论化学研究所,长春 130023
  • 收稿日期:2004-03-17 出版日期:2005-02-10 发布日期:2005-02-10
  • 通讯作者: 马於光(1964年出生),男,博士,教授,博士生导师,主要从事有机光电材料及器件的研究.E-mail:ygma@jlu.edu.cn E-mail:ygma@jlu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:20125421,90101026,50303007);国家“九七三”计划项目(批准号:2002CB6134003)资助

Electrochemical Properties and Electronic Energy Level of Phosphorescent Complexes (L)Re(CO)3Cl(L=α,α-diamine)

LI Mao1, ZHANG Ming1, ZENG Ming1, ZHANG Wu1, YANG Bing1, MA Yu-Guang1, LI Ye-Zhi1, YANG Li2, FENG Ji-Kang2   

  1. 1. Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University;
    2. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
  • Received:2004-03-17 Online:2005-02-10 Published:2005-02-10

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摘要： 通过循环伏安法对磷光发光材料(L)Re(CO)3Cl(L=α,α-diamine)系列配合物的电化学性质进行了研究.结合电子吸收、荧光光谱和量子化学计算确定了其能级结构,考察了二胺配体的取代基修饰对能级结构影响的规律.(L)Re(CO)3Cl系列配合物表现为单一的氧化(正电位方向)和多步还原(负电位方向)过程,分别反映了Re—Cl的杂化轨道组成的HOMO能级和二胺配体的π*轨道组成的LUMO能级的结构.与光谱数据比较发现,(L)Re(CO)3Cl配合物电化学数据主要反映的是三重态电子能级结构.

关键词: Re配合物, 循环伏安, 电子结构, 磷光

Abstract: The electrochemical properties, the energy level and the band gap of a series of phosphorescent Re(I) complexes, (L)Re(CO)3Cl(L=α,α-diamine) were studied by using cyclic voltammetry(CV) together with the UV-Vis absorption spectra, photoluminescence spectra and the self-consistent B3LYP quantum chemical calculation methods. Based on the results, the energy level of (L)Re(CO)3Cl were obtained and the influencing rule of ligands was also drawn. (L)Re(CO)3Cl complexes have a single oxidation peak and many reduction peaks. These peaks reflect the HOMO and LUMO energy level of (L)Re(CO)3Cl complexes, which were made up of Re—Cl hybrid orbital and π* orbital of diamine ligands, respectively. Compared with the results from the spectra, the band gap results of (L)Re(CO)3Cl complexes calculated from CV mainly correspond to the triplet energy level.

Key words: Re complex, Cyclic voltammetry, Electronic structure, Phosphorescence

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