Abstract 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+.

中文翻译：

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Dibenzo-18-crown-6 衍生物的铅离子选择性电极：一项探索性研究

摘要 Dibenzo-18-crown-6 (DB18C6) 及其三种衍生物（-COCH3、-Br、-NO2）通过密度泛函理论 (DFT) 建模、傅里叶变换红外 (FT-IR) 和吸收光谱进行了研究，差分脉冲阳极剥离 (DPASV)、循环 (CV) 和方波 (SWV) 伏安法，作为制备无增塑剂铅 (II) 离子选择性电极的可能材料。铅 (II) 离子和 DB18C6 衍生物之间的自发的、熵驱动的相互作用使得它们通过与高电子密度开放醚腔的配位形成 1:1 的配合物，但溴化衍生物除外，其中金属：配体化学计量为 2： 1 由于高电子密度溴原子的外腔配位。由一些衍生物（-H、-COCH3、