Three furan-based diketopyrrolopyrrole (DPP) chromophores have the same D−A−D structure and various tetraphenylethylene, pyrene and dibenzothiophene tails with intramolecular donor-acceptor spacers. Different π-extended chromophores show different intramolecular charge transfer properties. Furthermore, according to UV–Vis and emission spectral studies, dyes F1–F3 exhibit aggregation-caused quenching (ACQ) in tetrahydrofuran aqueous solutions. Interestingly, dyes F1 and F3 show aggregation-induced emission (AIE) behaviors in DMSO/toluene mixtures, while pyrene-functionalized DPP dye F2 still has ACQ character. It is noted that a contour plot is firstly carried out to be better understood the AIE and ACQ phenomena. Moreover, the energy gaps for the methyl counterpart of dyes F1–F3 are 2.30, 2.29 and 2.35 eV, respectively, which indicate that introducing asymmetrical D−A−D−π furan-containing DPP structures can reduce the HOMO–LUMO gaps easily and rapidly. In addition, a computational and experimental investigation has been provided, including theoretical and optical energy gaps for full comparison.

三个基于呋喃的二酮基吡咯并吡咯（DPP）发色团具有相同的D-A-D结构和各种带有分子内供体-受体间隔基的四苯基乙烯，pyr和二苯并噻吩尾。不同的π扩展生色团显示出不同的分子内电荷转移性质。此外，根据UV-Vis和发射光谱研究，染料F1 - F3在四氢呋喃水溶液中表现出聚集引起的猝灭（ACQ）。有趣的是，染料F1和F3在DMSO /甲苯混合物中表现出聚集诱导的发射（AIE）行为，而pyr官能化的DPP染料F2仍然具有ACQ字符。注意，首先进行等高线图是为了更好地理解AIE和ACQ现象。此外，染料F1 - F3的甲基对应物的能隙分别为2.30、2.29和2.35 eV，这表明引入不对称的含D-A-D- π呋喃的DPP结构可以轻松减少HOMO-LUMO的缺口，并且迅速。此外，还提供了计算和实验研究，包括理论和光学能隙，可以进行全面比较。