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    題名: Theoretical investigation of pyrazolo[3,4-b]quinoline derivatives as emitting materials
    作者: Pan, Jiunn-hung;Chou, Yu-ma;Chiu, Houn-lin;Wang, Bo-cheng;王伯昌
    貢獻者: 淡江大學化學學系
    關鍵詞: PAQ;DFT;OLED;Excitation
    日期: 2005-06
    上傳時間: 2009-12-01
    出版者: 淡江大學
    摘要: Recently, the Pyrazolo[3,4-b]quinoline (PAQ) derivatives were used as a dopant in the multiplayer OLED fabrication. The semiempirical AM1, ZINDO and ab initio DFT B3LYP calculation methods were used to calculate the maximum excitation wavelength (max ads ) and fluorescence wavelengths (emi ) of a series of PAQ derivatives based on their optimized structures. The substitution effects of PAQ derivatives with electron-withdrawing and electron-donating substituents were investigated according to their photo-physical properties and electroluminescent behavior. The calculated DT/DFT/B3LYP/6-31G* had the better linear relationship of them. Presumably, the procedures of theoretical calculation would be employed to predict the electroluminescence characteristics of the other material, and could give a possible way to design novel material for OLED.
    關聯: Tamkang journal of science and engineering 8(2), pp.175-183
    DOI: 10.6180/jase.2005.8.2.10
    顯示於類別:[化學學系暨研究所] 期刊論文

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