含二茂铁齐聚苯乙炔分子导线的合成

Synthesis of Ferrocene-based Oligo(p-phenylene ethynylene)s Molecular Wires

通过二碘代二茂铁与不同炔化物进行Sonogashira偶联反应,合成了3种新颖的含有二茂铁单元的苯乙炔齐聚物,用1HNMR、13C NMR和MS测试技术分别对其结构进行了表征。并借助量子化学计算对3种分子的电子结构进行了预测,结果显示,该类型分子导线具有不同于其它类型苯乙炔齐聚物的LUMO能级持续衰减特征,因此极有可能具备极为优良的电子传输性能。

Three novel ferrocene-based oligo（phenylene ethynylene）s molecular wires were prepared by the Sonogashira coupling reaction of 1,1′-diiodoferrocene with different acetylenic compounds.The structures of all the products were confirmed by 1H NMR,13C NMR and MS.The electronic structures of these molecular wires were forecasted by a quantum chemistry calculation,which indicated that they might contain favorable charge transport properties due to their abnormal LUMO energy level continuous attenuation.