Abstract：The structure and electronic properties of the derivertives of benzimidazole-C_(60)-P have been studied by using AM1 method.The results calculated indicated that the compound(1) have a lower energy difference between HOMO and LUMO.It was found that the electron cloud on unoccupied frontier mainly came from the contribution C_(60).A long lived charge-separated state may occur in the objective compound(1).
收稿日期: 2005-03-25
引用本文:
蒋启军 王婷婷 曾和平. C60-P-苯并咪唑衍生物分子结构和电子光谱的理论研究[J]. , 2005, 44(3): 0-0.
蒋启军 王婷婷 曾和平. Theoretical study on the electronic structure and geometry of the derivatives of benzimidazole-C60-P. , 2005, 44(3): 0-0.
