化学
离子
水溶液中的金属离子
无机化学
密度泛函理论
配体(生物化学)
分析化学(期刊)
光化学
计算化学
有机化学
受体
生物化学
作者
Deneikah T. Jackson,Peter N. Nelson,Irvin Noel Booysen
标识
DOI:10.1016/j.molstruc.2020.129575
摘要
Dibenzo-18-crown-6 (DB18C6) and three of its derivatives (-COCH3, -Br, -NO2), are investigated via Density Functional Theoretical (DFT) modelling, Fourier Transform Infrared (FT-IR) and absorption spectroscopies, Differential Pulse Anodic Stripping (DPASV), Cyclic (CV) and Square Wave (SWV) voltammetries, as possible materials for preparing plasticiser free lead(II) ion selective electrodes. The spontaneous, entropy driven, interactions between lead(II) ions and DB18C6 derivatives are such that they form 1:1 complexes via coordination with the high electron density open ether cavity, except for the brominated derivative where the metal: ligand stoichiometry is 2:1 due to exo-cavity coordination via the high electron density bromine atoms. Monolayers resulting from electropolymerization of some derivatives (-H, -COCH3, -Br) and chemisorption of the -NO2 derivative, allows quantification of lead(II) ions at concentrations below 10 mg L−1 with minimal interference from other metal ions except Hg2+ and Al3+.
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