...材料中，则又可区分为萤光材料及磷光材料两大类;萤光为单重激发态(Singlet State)的发光方式，磷光则是三重激发态(Triplet State)的发光方式，理论上若萤光加上磷光，可达100%发光效率。
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发现，该化合物在实验检测的波长范围内都有较强的吸收，且能产生较高量子产额的三重激发态。
It is found that these compounds have strong absorbance in all wavelength ranges under investigation, and produce excited triplet state with high quantum yields.
用B3LYP方法计算了分子的电子性质，用TD-B3LYP方法计算了单重激发态和三重激发态能量。
The electronic properties of the molecule are calculated using the B3LYP functional while excited singlet and triplet states are examined using TD-B3LYP.
结果表明，配体的三重态能级与稀土离子的激发态能级匹配。
The results show that the triplet state energy of the ligand is most matching with the excitated state energy of rare earth ions.
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