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Selective Chromogenic Recognition of Copper(II) Ion by Thiacalix4arene Tetrasulfonate and Mechanism

机译:硫杂杯4芳烃四磺酸盐对铜(II)离子的选择性生色识别及其机理

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摘要

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.
机译:通过一种简单的方法检测生物学上重要的过渡金属离子(例如铜)是理想且非常重要的。在这项工作中,我们首先报道了水溶性的硫杂杯[4]芳烃四磺酸盐(TCAS)对铜(II)离子比其他过渡金属离子表现出选择性的显色识别。在TCAS溶液中观察到从无色到鲑鱼粉的颜色变化,添加铜(II)离子在TCAS的紫外吸收光谱中引起弱红移,并且铜(II)在312 nm处的特征吸收带的吸光度线性增加离子浓度。通过与杯[4]芳烃四磺酸盐(CAS)和时变密度泛函理论(TD-DFT)的比较研究,研究了TCAS对铜(II)离子的识别机理,并基于跃迁指定了吸收带。轨道分析。

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