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。
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.
基金
国家自然科学基金!29672025
四川省教委重点科研项目!1998-143
