Computational design of benzo [1,2-b:4,5-b′] dithiophene based thermally activated delayed fluorescent materials
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- 作者：Jing Lu ; Yiying Zheng ; Jingping Zhang ; jpzhang@nenu.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：Benzo [1 ; 2-b ; 4 ; 5-b&prime ; ]dithiophene ; Thermally activated delayed fluorescence ; Density functional theory ; Time-dependent density functional theory ; Triplet-singlet conversion ; Charge transfer
- 刊名：Dyes and Pigments
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：127
- 期：Complete
- 页码：189-196
- 全文大小：2864 K
文摘
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A reverse intersystem crossing from higher triplet to singlet excited states is proposed.
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The calculated emission wavelengths of these investigated molecules may exhibit long wavelength emission characters.
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The charge transfer properties of these design molecules are calculated using density functional theory.