College of Resource and Environmental Engineering, Wuhan University of Science and Technology, Wuhan 430081, China.
State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, China.
Molecules. 2020 Jan 30;25(3):612. doi: 10.3390/molecules25030612.
Detection of biologically important transition metal ions such as copper by using a simple method is desirable and of great importance. In this work, we firstly reported that water-soluble thiacalix[4]arene tetrasulfonate (TCAS) exhibited selective chromogenic recognition towards copper(II) ion over other transition metal ions. Color change from colorless to salmon pink was observed in TCAS solution, weak bathochromic shift was induced in UV absorption spectrum of TCAS upon addition of copper(II) ion, and the absorbance of characteristic absorption band at 312 nm increased linearly with copper(II) ion concentration. The recognition mechanism of TCAS to copper(II) ion was investigated by a comparative study with calix[4]arene tetrasulfonate (CAS) and time-dependent density functional theory(TD-DFT) study, and the absorption bands were assigned based on transition orbital analysis.
采用简单的方法检测具有生物学重要性的过渡金属离子，如铜，是理想且非常重要的。在这项工作中，我们首次报道了水溶性硫代杯[4]芳烃四磺酸盐（TCAS）对铜（II）离子表现出选择性显色识别，而对其他过渡金属离子则没有。在 TCAS 溶液中观察到从无色到鲑鱼粉色的颜色变化，加入铜（II）离子后 TCAS 的紫外吸收光谱诱导出弱的红移，并且在 312nm 处的特征吸收带的吸光度随铜（II）离子浓度呈线性增加。通过与杯[4]芳烃四磺酸盐（CAS）的比较研究和基于时间的密度泛函理论（TD-DFT）研究，研究了 TCAS 对铜（II）离子的识别机制，并基于跃迁轨道分析对吸收带进行了分配。
