The Scholl reaction of ortho-phenylene-bridged cyclic pyrrole-thiophene hybrid hexamer gave cyclophane-type [5]heterohelicene exclusively in 45% yield. The structure was unambiguously revealed by X-ray diffraction analysis. This helicenophane-type compound showed sharp absorption and fluorescence spectra, reflecting its rigid structure. The reaction path was analyzed on the basis of DFT calculations, and it was found that the formation of the [5]helicene-dimer is thermodynamically favored and further oxidation is prohibited due to the increased strain energy.

中文翻译：

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邻苯撑桥环吡咯-噻吩杂化六聚体的Scholl反应

邻-亚苯基桥连的环状吡咯-噻吩杂化六聚体的 Scholl 反应以 45% 的产率专门得到环芳型 [5] 杂螺旋。通过X射线衍射分析明确地揭示了该结构。这种 helicenophane 型化合物显示出尖锐的吸收和荧光光谱，反映了其刚性结构。在DFT计算的基础上分析了反应路径，发现[5]螺旋烯-二聚体的形成在热力学上是有利的，并且由于应变能的增加而阻止了进一步的氧化。