Two benzothiazole derivatives with triphenylamine (CBVD) and phenothiazine (CBVP) moieties as electron donor groups were prepared, and their solid luminescence and mechanofluorochromism (MFC) were investigated and compared. Solvent-dependent fluorescence spectra and quantum chemical calculation indicate that the luminescence of both compounds originates from the intramolecular charge transfer transition. Although the two compounds have similar absorption spectra in solution, CBVP possesses red-shifted fluorescence as compared with CBVD. Similar to that in solution, CBVP in crystal state has longer emission wavelength than CBVD in crystal state. Crystal structures indicate that their molecular stacking models in crystal phases are different. J-aggregate and H-aggregate coexist in CBVD crystal, whereas only H-aggregate was observed in CBVP crystal. Moreover, CBVP exhibits reversible luminescence color change from yellow to orange-red with a spectral shift of 36 nm under mechanical force stimuli, whereas CBVD has a spectral shift of only 20 nm, indicating poor color contrast. UV–Vis absorption spectra show that the mechanical force induces the disappearance of H-aggregate in CBVD crystal and leads to stacking model transition from H-aggregation to J-aggregation in the CBVP system.

制备了具有三苯胺（CBVD）和吩噻嗪（CBVP）部分作为电子供体基团的两种苯并噻唑衍生物，并研究和比较了它们的固体发光和机械荧光致变色（MFC）。溶剂依赖性荧光光谱和量子化学计算表明，这两种化合物的发光都源自分子内的电荷转移跃迁。尽管两种化合物在溶液中的吸收光谱相似，但与CBVD相比，CBVP具有红移荧光。与溶液中的CBVP相似，处于晶体状态的CBVP具有比处于晶体状态的CBVD更长的发射波长。晶体结构表明它们在晶体相中的分子堆积模型是不同的。J-集合和H-aggregate共存于CBVD晶体，而只有ħ在CBVP晶体中观察到-aggregate。此外，在机械力刺激下，CBVP呈现出可逆的发光颜色变化，从黄色变为橙红色，光谱偏移为36 nm，而CBVD的光谱偏移仅为20 nm，表明颜色对比度差。UV-Vis吸收光谱表明，该机械力诱导的消失ħ在CBVD晶体-aggregate并导致从堆叠模型过渡ħ -aggregation到Ĵ在CBVP系统-aggregation。