磷光配合物(L)Re(CO)_3Cl(L=α,α-diamine)的电化学性质和电子能级  

Electrochemical Properties and Electronic Energy Level of Phosphorescent Complexes (L)Re(CO)_3Cl(L=α,α-diamine)

作　　者：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] 

机构地区：[1]吉林大学超分子结构与材料教育部重点实验室,长春130023 [2]吉林大学理论化学研究所,长春130023

出　　处：《高等学校化学学报》2005年第2期317-320,共4页Chemical Journal of Chinese Universities

基　　金：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

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 .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.

关 键 词：Re配合物 循环伏安 电子结构 磷光 

分 类 号：O614[理学—无机化学]