A fluorenyl-thioic-based dye (P) bearing a thioic ester moiety was designed, synthesized and spectroscopically characterized. The photophysical properties were studied via UV–Vis spectroscopy in acetonitrile (CH₃CN) as a solvent of choice. Upon investigating and studying the photophysical properties, it was found that P could be an ideal colorimetric sensor for biologically important anions and cations. The chemosensing properties were studied through naked eye observable colour changes as well as UV–Vis titration method. The naked eye observations and UV–Vis titrations established that P is a colorimetric probe selective and sensitive to some cations (Ag⁺, Hg²⁺, Ni²⁺, Fe³⁺, Co²⁺, Cu²⁺ and Zn²⁺) and anions (F⁻, CN⁻, OH⁻ and AcO⁻) in CH₃CN. The nature of interaction with cations is via coordination by soft atoms (nitrogen and sulphur atoms), in the process inducing spectral red shift (375 to 475 nm), whereas interaction with anions was dominated by hydrogen bonding, leading to yet another red shift (375 to 453 nm). The cross-detection studies have indicated that M has more affinity towards Cu²⁺, followed by Zn²⁺, compared to all other cations used. The reversibility and reproducibility studies were carried out, and P was found to exhibit molecular logic behaviours, thereby displaying complementary IMP/INH logic functions, based on colour and spectral switching (ON/OFF). Hence, the probe can thus be utilized as a colorimetric molecular switch modulated by F⁻/Al³⁺. In addition, the experimental data were supplemented by computational calculations, where HOMO and LUMO levels at − 5.65 and − 2.51 eV (3.14 eV energy gap) for P were well in agreement with the absorption curve.

设计、合成了带有硫代酸酯部分的芴基硫代染料 ( P )，并对其进行了光谱表征。在乙腈 (CH ₃ CN) 作为选择的溶剂中，通过紫外-可见光谱研究了光物理性质。在调查和研究光物理特性后，发现P可能是生物学上重要的阴离子和阳离子的理想比色传感器。通过肉眼可观察到的颜色变化以及紫外-可见滴定法研究化学传感特性。肉眼观察和 UV-Vis 滴定确定P是一种比色探针，对某些阳离子（Ag ⁺、Hg ²⁺、Ni ²⁺CH ₃ CN 中的Fe ³⁺、Co ²⁺、Cu ²⁺和 Zn ²⁺）和阴离子（F ^-、CN ^-、OH ^-和 AcO ^-）。与阳离子相互作用的本质是通过软原子（氮和硫原子）的配位，在这个过程中引起光谱红移（375 到 475 nm），而与阴离子的相互作用主要是氢键，导致另一个红移（ 375 至 453 纳米）。交叉检测研究表明M对Cu ^{2+ 的}亲和力更强，其次是Zn ²⁺，与使用的所有其他阳离子相比。进行了可逆性和再现性研究，发现P表现出分子逻辑行为，从而显示出基于颜色和光谱切换（开/关）的互补 IMP/INH 逻辑功能。因此，探针因此可以用作由F ^- /Al ³⁺调制的比色分子开关。此外，通过计算计算补充了实验数据，其中P 的- 5.65 和 - 2.51 eV（3.14 eV 能隙）的 HOMO 和 LUMO 能级与吸收曲线非常吻合。