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| 作者: Yang GB, Zhou YH, Tian WJ*, Zhou X, Pan QJ, Ren AM |
| 來(lái)源出版物: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 卷: 25 期: 6 頁(yè): 1104-1107 出版年: JUN 10 2004 |
摘要: Thiophene-based monodispersed linear pi-conjugated oligomers with a well-defined chemical structure are the subject of considerable current interest related to their potential applications as active material in organic electronics and photonic devices,in molecular electronics. In this paper, we have investigated series of DOT. oligomers, in which EDOT moieties have been inserted either as a median bis-EDOT core or and external end groups by quantum chemical calculations. Their absorption spectral peaks, the frontier molecular orbitals HOMO and LUMO were calculated by using the semi-experiential method AM1 and PM3. It is indicated that the. changing tendency of the calculated results is in good agreement with the experimental observations.