To investigate the Influence of Ancillary Ligands in Cyclometalated Iridium(III) Complexes by the method of Density Functional Theory

碩士 === 國立屏東教育大學 === 應用化學暨生命科學系 === 98 === Recently, organic light-emitting diodes (OLEDs) are subjected to the considerable attentions of governments, domestic industries, and researchers. The main focus in the material development, material character and device manufactured. For materials used for...

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Bibliographic Details
Main Authors: Tzu-I Huang, 黃淄宜
Other Authors: Tsun-Ren Chen
Format: Others
Language:zh-TW
Published: 2010
Online Access:http://ndltd.ncl.edu.tw/handle/07022366711635455618
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Summary:碩士 === 國立屏東教育大學 === 應用化學暨生命科學系 === 98 === Recently, organic light-emitting diodes (OLEDs) are subjected to the considerable attentions of governments, domestic industries, and researchers. The main focus in the material development, material character and device manufactured. For materials used for OLEDs, iridium phosphorescent materials are very important because this kind of compound possesses high quantum efficiency. This report focuses on the study of iridium chemistry, for example, the structure and characterization of iridium complexes, and the theoretical study for the orbital configuration, electronic transition, andspectra simulation of iridium complexes. This report use density functional theory (DFT) to simulate the orbital component, orbital configuration, energy levels, and structure of some iridium complexes. This report also presents the influence of ancillary ligands of cyclometalated iridium (III) complexes. The result of this study provides a useful approach for the development of high potency OLED materials.