The introduction of phenylethynyl groups on to the 4-(pyren-1-yl)butanoic acid core structure using a copper-free Sonogashira coupling resulted in the formation of a highly efficient green light emitting material. The new photoluminescente pyrene derivative has a large fluorescence quantum yield of 0.72 in DMSO (τ = 1.89 ns) and a small solvatochromic effect. The structure of the new pyrene derivative was investigated by density functional theory (DFT) calculations. The results corroborate the participation of the phenylethynyl groups as part of the structure of both the HOMO and the LUMO orbitals, thus explaining the red shifted emission, relative to pyrene, into the visible region as a consequence of the extended π-conjugation.

使用无铜的Sonogashira偶联将苯基乙炔基引入4-（吡喃-1-基）丁酸核心结构上导致形成高效的绿色发光材料。新的光致发光pyr衍生物在DMSO中具有0.72的大荧光量子产率（τ= 1.89 ns），并且具有很小的溶剂致变色效应。通过密度泛函理论（DFT）计算研究了新型pyr衍生物的结构。结果证实了苯基乙炔基作为HOMO和LUMO轨道结构的一部分而参与，从而解释了由于π共轭扩展导致相对于pyr的红移发射进入可见区。