A novel charge transfer complex based on D_6h-symmetric coronene and D_3h-symmetric HAT(CN)₆ (1,4,5,8,9,12-hexaazatriphenylene-hexacarbonitrile (HAT(CN)6) with 2:1 stoichiometry has been prepared by cosublimation method. We have conducted the measurement of charge transfer and charge transport properties as well as the theoretical calculation. The optical spectra indicate coronene-HAT(CN)₆ a charge transfer complex in neutral state. This complex demonstrates typical features of a p-type organic semiconductor and the highest hole field-effect mobility is calculated to be 5.6 × 10⁻³ cm² v⁻¹ s⁻¹. Combined with the electronic band structure and intermolecular electronic coupling obtained from corresponding calculation, this research provides assistance in investigating structure-performance relationship and suggest a guideline for developing high-performance binary composed materials.

一种基于D _6h对称的ron烯和D _3h对称的HAT（CN）₆（1,4,5,8,9,12-六氮杂三亚苯基-六甲腈（HAT（CN）6））的化学计量比为2的新型电荷转移络合物用共升华法制备了电荷转移和电荷输运性质，并进行了理论计算，光谱表明在中性状态下，Coronene-HAT（CN）₆是一种电荷转移配合物，具有典型的特征。一的p型有机半导体和最高空穴的场效应迁移率被计算为5.6×10 ^-3 厘米² v ^-1小号^-1。结合相应的计算得到的电子能带结构和分子间电子耦合，本研究为研究结构-性能关系提供了帮助，并为开发高性能二元复合材料提供了指导。