在室温下,对单取代聚乙炔(PACz-1)和两种双取代聚乙炔[PACz-2(m=3)、PACz-2(m=9)]的荧光特性和电子结构进行了研究.每种聚乙炔的支链上有一个咔唑单元.虽然它们的分子结构不同,但它们的稀溶液却有相同的吸收峰和强的绿色荧光发射峰,并且它们的吸收谱和发射谱很相似.当溶液的浓度增大到～1×10-3M时,发现有强的绿色荧光发射,峰位位于475 nm.运用Huckel扩展紧束缚计算方法,从理论上计算了带咔唑支链的聚乙炔的电子结构.结果表明单取代聚乙炔和两种双取代聚乙炔的吸收峰、低浓度下的360 nm紫外光发射峰与高浓度下的475 nm的绿色荧光峰都是由于聚乙炔支链上咔唑生色团引起的.
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