| 几种芳香胺类有机EL材料性质的量子化学研究 |
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| 引用本文： | 廖显威,苏宇,李来才,毛双,田安民.几种芳香胺类有机EL材料性质的量子化学研究[J].化学物理学报,2000,13(3):298-303. |
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| 作者姓名： | 廖显威 苏宇 李来才 毛双 田安民 |
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| 作者单位： | 四川师范大学化学系成都610066,川北医学院化学教研室南充637007,四川师范大学化学系成都610066,四川师范大学化学系成都610066,四川大学化学系成都610064 |
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| 基金项目： | 国家自然科学基金资助项目（No.29672025）和四川省教委重点科研项目（1998-143） |
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| 摘 要： | 几种芳香胺类化合物E-12、E-13、E-14和E-15均为性能良好的有机电致发光（EL）和光致发光（PL）材料·采用量子化学计算方法，用RHF/AM1方法优化其构型，用RHF/CIS方法计算其电子光谱，计算结果与实验值基本吻合。
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| 关 键 词： | EL材料 RHF/CIS方法 电子光谱 |
Quantum Chemistry Study on Properties of Several Aromatic Amine Organic EL Ma terials |
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| LiaoXianwei,Su Yu,Li Laicai,Mao Shuang and Tian Anmin.Quantum Chemistry Study on Properties of Several Aromatic Amine Organic EL Ma terials[J].Chinese Journal of Chemical Physics,2000,13(3):298-303. |
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| Authors: | LiaoXianwei Su Yu Li Laicai Mao Shuang and Tian Anmin |
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| Institution: | Department of Chemistry,Sichuan Normal University,Chengdu 610066,Teaching and Research Group of Chemistry,Northern Sichuan Medical Colleg e,Nanchong 637007,Department of Chemistry,Sichuan Normal University,Chengdu 610066,Department of Chemistry,Sichuan Normal University,Chengdu 610066,Department of Chemistry,Sichuan University,Chengdu 610064 |
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| Abstract: | Several aromatic amine compounds E-12,E-13,E-14,and E-15 are all organic electroluminescent(EL)and photoluminescent(PL)materials with good characteristics.Quantum chemistry calculations have been made.Their geometric configurations have been optimized by RHF/AM1.Their electronic spectra have been calculated by RHF/CIS.The calculated results are essentially consistent with experimental values. |
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| Keywords: | EL materials RHF/CISmethod Electronic spectrum |
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