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

• 作 者: CHEN RunFeng MA Cong PAN JingF
• 机 构: KeyLaboratoryforOrganicElectronics&,InformationDisplays
• 出 处: 中国科学：物理学、力学、天文学英文版
• 发表日期: 2011年5期
• 关键词: 聚噻吩 电子基态 激发态 半经验量子化学计算 单线 低洼 光学特性 相互作用 spirofluorene OLEDs AM1 thiophene
• 基金项目: This work was financially supported by the National Basic Research Pro- gram of China （Grant No. 2009CB930601）, the National Natural Science Foundation of China （Grant Nos. 20804020, 60976019, 5090302

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 π-syst