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通过对模型化合物环四-9,9’-二甲基-2,7-芴及其系列的环芴衍生物[n]CFs(n=3-8)的结构、张力能以及光电性质的研究来进一步探讨空间张力对材料光学及电学性质的影响。研究结果表明,随着化合物中芴基数量和直径的增加,张力能减小,能隙增大。具有相同芴基数目的环芴分子,随着分子中张力能减少,分子电离电势逐渐增加,而电子亲和能逐渐减小。通过对模型化合物的空穴和电子重整能研究发现,其数值很接近,说明该类材料是一类潜在的双极性传输材料。同时还发现[n]CFs中,随着张力的减少,其第二发射峰的波长发生了蓝移。综上所述,空间张力为设计多功能有机半导体材料提供了有力工具。
The structure, tensile energy and photoelectronic properties of the model compound cyclopenta-9,9’-dimethyl-2,7-fluorene and its series of fluorene derivatives [n] CFs To further explore the space tension on the optical and electrical properties of materials. The results show that with the increase of the number and diameter of fluorene in the compound, the tension can be reduced and the energy gap increased. With the same number of fluorene fluorene molecules, with the molecular tension can be reduced, the molecular ionization potential gradually increased, while the electron affinity decreased. By studying the hole and electron reforming energies of the model compounds, it is found that the values are very close to each other, indicating that this type of material is a potential bipolar transmission material. Also found [n] CFs, with the decrease of tension, the second emission peak wavelength blue shift. In summary, space tension provides a powerful tool for designing multifunctional organic semiconductor materials.