Mohammadi Asadollah, Khalili Behzad, Haghayegh Aida Saberi
Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran.
Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran.
Spectrochim Acta A Mol Biomol Spectrosc. 2019 Nov 5;222:117193. doi: 10.1016/j.saa.2019.117193. Epub 2019 May 29.
In this work, a new chromone based colorimetric sensor (ChrCS) was developed for highly selective detection of copper ions in semi-aqueous media. Evaluation of color and spectral changes displayed by the developed sensor shows that the sensor can be applied to detect copper ions in the presence of other competing metal ions and anions. The developed sensor, which contains biologically active chromone ring, shows excellent selectivity at microlevel for Cu with a color change from colorless to yellow. Job's plot based on spectroscopic data showed the complex formation between ChrCS and Cu ions has the stoichiometric ratio of 1:1 (ChrCS-Cu complex). In addition, the binding constant of the ChrCS to Cu was determined using the Benesi-Hildebrand equation. Furthermore, the test papers of the developed ChrCS were successfully prepared and employed to detect different concentration Cu (10 M to 10 M) in aqueous solution. Importantly, sensor ChrCS was applied to detect Cu ions in real water samples. To better understand the optical character of ChrCS and the effect of metal ion titration, density functional theory (DFT) calculations at the B3LYP/6-31 + G(d,p) level were performed for ChrCS and its complex ChrCS-Cu. Furthermore, on the basis of the Job's plot analysis DFT calculations, and reversible nature of the developed sensor, the sensing mechanism was demonstrated.
在这项工作中，开发了一种基于色酮的新型比色传感器（ChrCS），用于在半水介质中高选择性地检测铜离子。对所开发传感器显示的颜色和光谱变化的评估表明，该传感器可用于在存在其他竞争性金属离子和阴离子的情况下检测铜离子。所开发的传感器含有具有生物活性的色酮环，在微观水平上对铜表现出优异的选择性，颜色从无色变为黄色。基于光谱数据的乔布氏图表明，ChrCS与铜离子之间形成的配合物的化学计量比为1:1（ChrCS-Cu配合物）。此外，使用贝内西-希尔德布兰德方程确定了ChrCS与铜的结合常数。此外，成功制备了所开发的ChrCS试纸，并用于检测水溶液中不同浓度的铜（10⁻⁶ M至10⁻² M）。重要的是，传感器ChrCS被应用于检测实际水样中的铜离子。为了更好地理解ChrCS的光学特性和金属离子滴定的影响，在B3LYP/6-31+G(d,p)水平上对ChrCS及其配合物ChrCS-Cu进行了密度泛函理论（DFT）计算。此外，基于乔布氏图分析、DFT计算以及所开发传感器的可逆性质，证明了传感机制。
