Theoretical study of the electronic ground states and low-lying singlet excited states of thiophene-based spirofluorenes

被引：2

作者：

Chen RunFeng ^{[1
]}

Ma Cong ^{[1
]}

Pan JingFang ^{[1
]}

Zheng Chao ^{[1
]}

Huang Wei ^{[1
]}

机构：

[1] Nanjing Univ Posts & Telecommun, Inst Adv Mat, Key Lab Organ Elect & Informat Displays, Nanjing 210046, Peoples R China

来源：

SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY | 2011年 / 54卷 / 05期

关键词：

spirofluorene; OLEDs; AM1; thiophene; OPTICAL-PROPERTIES;

D O I：

10.1007/s11433-011-4318-9

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic structures and optical properties of oligothiophene substituted spirofluorenes are investigated theoretically with semi-empirical quantum chemical calculations. A theoretical investigation of the interaction between two perpendicular pi-systems of various oligothiophene substituted spirofluorenes is conducted. The results demonstrate that the interaction between two perpendicular branches is reduced by oligothiophene substitutions. Photoexcitation induced relaxation is mainly located on one of the equivalent branches or the branch with longer conjugation length. In addition to these benefits brought by 9,9-spirobifluorene center, the specific oligothiophene moieties linked to the spiro center also have properties of significant merit, such as the ability to tune energy levels and emission colors by controlling the conjugation length.

引用

页码：884 / 889

页数：6

共 22 条

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