Achieving blue luminescence of Alq3 through the pull-push effect of the electron-withdrawing and electron-donating substituents

Achieving blue luminescence of Alq3 through the pull-push effect of the electron-withdrawing and electron-donating substituents
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通过吸电子和供电子取代基的拉推效应实现Alq3的蓝色发光

DOI:
10.1016/j.matchemphys.2009.02.046
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发表时间:
2009
影响因子:
4.6
通讯作者:
Hongzheng Chen
Hongzheng Chen
中科院分区:
材料科学3区
文献类型:
--
作者:
M. Shi;Jiamiao Lin;Yue Shi;M. Ouyang;Mang Wang;Hongzheng Chen

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设计并制备了一种新型蓝光 Alq3 衍生物三-(4-甲基-6-氟-8-羟基喹啉)铝 (6)。由于6位强电负性F原子显着降低了HOMO,而4位弱给电子甲基保留了LUMO的下降,因此6位的带隙变宽,并且与Alq3相比,发射峰(λem)蓝移53nm,强度大幅增强。还发现6具有良好的热稳定性和在常见溶剂中的溶解度。通过前线轨道的理论模拟,发现如果甲基被更强的给电子取代基(如甲氧基或N,N'-二甲氨基)取代,6的λem可以进一步蓝移。
A novel blue-emissive Alq3derivative, tris-(4-methyl-6-fluoro-8-hydroxyquinoline) aluminum (6), has been designed and prepared. Because the strong electronegative F atom at 6-position lowers the HOMO significantly and the weak electron-donating methyl group at 4-position retains the drop of the LUMO, the band gap of 6 is broadened, and a blue-shift by 53nm of the emission peak (λem) with substantially enhanced intensity is demonstrated when compared to that of Alq3. It is also found that 6 possesses good thermal stability and solubility in common solvents. Through theoretical simulations of the frontier orbitals, it is disclosed that 6's λemcan be blue-shifted further if methyl is replaced with a stronger electron-donating substituent, such as methoxy or N,N′-dimethylamino group.
DOI: --
发表时间: 2021
期刊:
影响因子: --
作者:
松尾 尚紀;金澤 有紘;青島 貞人;安部省吾 ・ 山 元 和哉 ・ 門川淳一
通讯作者: 安部省吾 ・ 山 元 和哉 ・ 門川淳一