The effect of metal electron cloud on the luminescence characteristics of organic ligands:An experimental and theoretical investigation

作     者：ZHANG FuJun LIU XiaoJun HUANG Feng ZHUO ZuLiang LU LiFang XU Zheng WANG YongSheng TAO XuTang BIAN WenSheng TANG WeiHua 

作者机构：Key Laboratory of Luminescence and Optical Information (Beijing Jiaotong University) Ministry of Education Beijing 100044 China State Key Laboratory of Crystal Materials Shandong University Jinan 250100 China Beijing National Laboratory for Molecular Sciences Beijing 100109 China Key Laboratory for Soft Chemistry and Functional Materials of Ministry Education Nanjing University of Science and Technology Nanjing 210094 China 

出 版 物：《Chinese Science Bulletin》 (Chin. Sci. Bull.)

年 卷 期：2011年第56卷第6期

页      面：479-483页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China (10804006, 21003009, 21074055 and 10774013) the National Natural Science Fund for Distinguished Young Scholars (60825407) the National Basic Research Program of China (2010CB327704) the Natural Science Foundation of Beijing (1102028) 111 Project (B08002) the NUST Research Funding (2010ZDJH04) Beijing Jiaotong University (2009J-BZ019-4 and 2007RC078) the State Key Laboratory of Crystal Materials,Shandong University (KF0806) Beijing National Laboratory for Molecular Sciences 

主　　题：金属配合物 有机配体 发光特性 电子云 实验值 金属离子效应 电荷转移 羟基喹啉 

摘      要：The luminescence processes of metal complexes are complicated by intramolecular charge (energy) transfer from the metal to the ligand or from the ligand to the metal. The charge transfer strongly influences the excited state of the ligand and its luminescence characteristics. The luminescence characteristics of tris(8-hydroxyquinoline) aluminum (Alq3) and tris(8-hydroxyquinoline) gallium (Gaq3) are investigated to reveal the effect of the metal ion on the ligand. Emission from the complexes shows a significant red shift as the size of the metal ion increases from Al to Ga because of more efficient charge transfer from the metal to the ligand. Theoretical calculations on the structure and transition characteristics of the excited states of Alq3 and Gaq3 were performed. The calculated emission wavelength agrees with the experimental value and the effect of the metal electron cloud on the emission wavelength is clarified.