Theoretical studies on charge transport and optical properties of diarylmaleic anhydride derivatives as organic light-emitting materials

被引：2
|
作者：
Jia, Xubo [1 ]
Wei, Huiling [1 ]
Shi, Yarui [1 ]
Liu, Yufang [1 ]
机构：
[1] Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2019年 / 724卷
基金：
中国国家自然科学基金;
关键词：
LUMINESCENT MATERIALS; COMPLEXES; DESIGN; LIGANDS; ENERGY;
D O I：
10.1016/j.cplett.2019.03.053
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The charge transport and optical properties of aromatic ring substituents symmetrically-substituted diarylmaleic anhydrides is studied based on the Marcus-Hush theory and quantum chemistry calculations. The molecule with benzene substituents (1) exhibits the balanced hole and electron charge transport properties. Among three molecules, molecule with thiophene substituents (2) shows the maximum carrier mobility. The frontier molecular orbitals analysis turned out that molecule with indole substituents (3) is characterized as intramolecular charge transfer. The absorption and emission spectra indicate that the aromatic substituents can affect optical properties of molecules. 2 might be promising luminescent material for organic light-emitting diodes.
引用
收藏
页码：50 / 56
页数：7
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