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Dithiocarbamate Induced Catalytic Hydrogen Wave for the determination of Iron (II) in Waters and Leafy Vegetables: Experimental and Computational Approach

机译:二硫代氨基甲酸酯诱导的催化氢波测定水和叶类蔬菜中的铁(II):实验和计算方法

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A simple, sensitive, selective and robust catalytic hydrogen wave method was developed by noveldithiocarbamates (ammonium 2,6-dimethyl morpholine dithiocarbamate and ammonium 3-methylpiperidine dithiocarbamate) using DC polarography. This method was based on the interaction ofIron(II) with dithiocarbamates in the presence of buffer (NH4Cl-NH4OH) at pH 6.6/6.4 to producecatalytic hydrogen currents at -1.39/-1.32V vs SCE respectively. The optimized experimentalconditions were established by investigating the pH effect, supporting electrolyte (NH4Cl-NH4OH),and concentration of ligand. Thereafter, adverse ions effect on wave height was evaluated to enhancethe selectivity of the present method. Additionally, the density functional theory calculations ofammonium 3-methyl piperidine dithiocarbamate revealed a smaller HOMO-LUMO energy gap thanammonium 2,6-dimethyl morpholine dithiocarbamates, suggesting that ammonium 3-methylpiperidine dithiocarbamates have a superior propensity to act as an electron donor to Iron(II). Thereported analytical method was successfully applied for the detection of Iron (II) in different water andleafy vegetable samples with recoveries ranging from 97-99 %.
机译:一种新的二硫代氨基甲酸酯(2,6-二甲基吗啉二硫代氨基甲酸铵和3-甲基哌啶二硫代氨基甲酸铵)开发了一种简单,灵敏,选择性强的催化氢波方法。此方法基于铁(II)与二硫代氨基甲酸酯在pH 6.6 / 6.4的缓冲液(NH4Cl-NH4OH)存在下的相互作用,分别产生相对于SCE -1.39 / -1.32V的催化氢电流。通过研究pH值的影响,支持电解质(NH4Cl-NH4OH)和配体的浓度,建立了最佳的实验条件。此后,评估了不利离子对波高的影响以增强本方法的选择性。此外,对3-甲基哌啶二硫代氨基甲酸铵的密度泛函理论计算表明,HOMO-LUMO能隙比2,6-二甲基吗啉二硫代氨基甲酸铵更小,这表明3-甲基哌啶二硫代氨基甲酸铵具有更强的作为铁的电子供体的倾向( II)。所介绍的分析方法已成功应用于不同水和多叶蔬菜样品中铁(II)的检测,回收率为97-99%。

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