| 芳基四硫富瓦烯与碘电荷转移复合物的合成及其晶体结构 |
| Synthesis and crystal structure of the charge transfer complexes of arylthiotetrathiafulvalenes and iodine |
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| 摘要: 采用缓慢挥发溶剂的方法合成了硫原子桥联芳基取代四硫富瓦烯(Ar-S-TTF)与碘的3种电荷转移复合物(1+·)(I3)·I2、(2+·)(I5)·I2和(32+)(I3)2，采用单晶X射线衍射、紫外可见光谱、循环伏安对其进行了表征。复合物(1+·)(I3)·I2为C2/c空间群，1+·呈椅式构型。化合物1与碘之间在溶液中和复合物中电荷转移一致。复合物(2+·)(I5)·I2为P1空间群，2+·呈椅式构型。复合物(32+)(I3)2为Pbca空间群，32+呈独特的平面构型。化合物2和3与碘之间在溶液中和复合物中呈现不同的电荷转移。复合物中聚碘阴离子呈现不同的堆积结构：由I3-或I5-/I2组成的一维链状和I3-/I2组成的二维网格状。 |
| 关键词: 四硫富瓦烯 碘 晶体结构 电荷转移复合物 |
| 基金项目: 河南省科技厅项目(No.222102310354)资助。 |
| Abstract: Three charge-transfer (CT) complexes (1+·)(I3)·I2, (2+·)(I5)·I2, and (32+)(I3)2 have been prepared via solvent evaporation method comprising arylthio - substituted tetrathiafulvalene derivatives (Ar - S - TTF) and iodine. Single crystal X-ray diffraction, UV-Vis spectrum, and cyclic voltammetry were used to characterize the complexes. Complex (1+·)(I3)·I2 crystallizes in the C2/c space group. 1+· takes the chair configuration. The asymmetric unit contains half of 1+· ions, half of I3- ions, and half of I2 molecules. The charge transfer between compound 1 with iodine is consistent in the complex in solution. Complex (2+·)(I5)·I2 crystallizes in the P1 space group, and 2+· takes the chair conformation. The asymmetric unit contains one 2+· ion, one I5- ion, and one I2 molecule. Complex (32+)(I3)2 crystallizes in the Pbca space group, and 32+ takes the unique planar configuration. The asymmetric unit contains one 32+ ion and two I3- ions. Compounds 2 and 3 exhibit different charge transfers with iodine in solution and the complex. The iodine components in the complexes show various structures including the 1D chain of I3- or I5-/I2, and 2D iodine networks comprised of I2 and I3-. |
| Keywords: tetrathiafulvalene iodine crystal structure charge transfer complexes |
| 投稿时间：2023-05-02 修订日期：2023-06-13 |
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| 左琦,马龙飞.芳基四硫富瓦烯与碘电荷转移复合物的合成及其晶体结构[J].无机化学学报,2023,39(10):1869-1876. |
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