十字交叉型并五苯衍生物的合成及晶体结构

Synthesis and structure characterization of cross-shaped pentacene derivatives

以2-正己基噻吩为起始原料,成功地合成出一系列新型寡聚噻吩修饰的并五苯衍生物(1a～1c),通过1H NMR1,3C NMR,MSI,R和元素分析确证了其结构.并利用单晶X射线衍射测定了化合物1a的晶体结构.结果表明,该晶体属于三斜晶系,P-1空间群,其晶胞参数为:a=7.7299,b=9.2123,c=12.4220,α=69.112°,β=81.845°,γ=85.655°.化合物1a形成独特的十字交叉形状和面对面的晶体堆积结构.

A series of new cross-shaped pentacene derivatives（1a^1c） were successfully synthesized from 2-hexylthiophene,which consist of pentacene skeletons modified by different oligothienyl groups.All the compounds were characterized by 1H NMR,13C NMR,MS,IR and elemental analysis.X-ray single-crystal analysis revealed compound 1a forms a triclinic unit cell that belongs to the P-1 space group with the unit cell parameters a=7.7299,b=9.2123 ,c=12.4220 ,α=69.112°,β= 81.845°,γ=85.655°.Compound 1a forms distinct cross shape and face to face stacking.