期刊論文

學年 93
學期 2
出版(發表)日期 2005-06-01
作品名稱 Theoretical investigation of pyrazolo[3,4-b]quinoline derivatives as emitting materials
作品名稱(其他語言)
著者 Pan, Jiunn-hung; Chou, Yu-ma; Chiu, Houn-lin; Wang, Bo-cheng; 王伯昌
單位 淡江大學化學學系
出版者 淡江大學
著錄名稱、卷期、頁數 Tamkang journal of science and engineering 8(2), pp.175-183
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.
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期刊性質 國內
收錄於 EI
產學合作
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國別 TWN
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