论文部分内容阅读
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。
Several aromatic amine compounds, E-12, E-13, E-14 and E-15, are well-behaved organic electroluminescent (EL) and photoluminescent (PL) materials. The quantum chemical calculation method was used to optimize its configuration by RHF / AM1 method, and its electronic spectrum was calculated by RHF / CIS method. The calculation results are in good agreement with the experimental values.