A Semi-Micro Extraction Spectrophotometric Determination of Iron Using 4-Nitrocatechol and Xylometazoline Hydrochloride.

IF 4.2 2区化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Molecules Pub Date : 2025-02-15 DOI:10.3390/molecules30040899

Petya V Racheva, Antoaneta D Saravanska, Galya K Toncheva, Denitsa D Kiradzhiyska, Nikolina P Milcheva, Vidka V Divarova, Ina P Pencheva, Kirila T Stojnova, Vassil B Delchev, Kiril B Gavazov

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Abstract

A chromogenic solvent extraction system for Fe(III) based on 4-nitrocatechol (4NC) and xylometazoline hydrochloride (XMH) was investigated. The optimum conditions for extraction spectrophotometric determination of iron were found. Under these conditions, the formula of the extracted complex was (XMH⁺)₃[Fe(4NC)₃] and the apparent molar absorption coefficient at λ_max = 464 nm was 1.9 × 10⁵ dm³ mol^-1 cm^-1 (4-fold enrichment). To validate the aforementioned formula and gather information about the spin state of the central Fe(III) ion, a combined experimental-theoretical approach was employed. This approach entailed the experimental determination of the 4NC:Fe and XMH:Fe molar ratios and the optimization of potential color-bearing structures utilizing the B3LYP/6-311G computational chemistry method. The effect of foreign ions was thoroughly examined, and a sensitive, simple, and inexpensive analytical procedure was proposed, which was successfully applied for determining iron in pharmaceutical and industrial samples.

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研究了基于 4-硝基邻苯二酚（4NC）和盐酸二甲唑啉（XMH）的铁（III）色原溶剂萃取系统。找到了萃取分光光度法测定铁的最佳条件。在这些条件下，萃取复合物的公式为 (XMH+)3[Fe(4NC)3]，在 λmax = 464 nm 处的表观摩尔吸收系数为 1.9 × 105 dm3 mol-1 cm-1（富集 4 倍）。为了验证上述公式并收集有关中心铁(III)离子自旋状态的信息，我们采用了实验-理论相结合的方法。这种方法包括通过实验确定 4NC:Fe 和 XMH:Fe 的摩尔比，以及利用 B3LYP/6-311G 计算化学方法优化潜在的含色结构。对外来离子的影响进行了深入研究，并提出了一种灵敏、简单、廉价的分析程序，该程序已成功应用于测定医药和工业样品中的铁。

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来源期刊

Molecules 化学-有机化学

CiteScore

7.40

自引率

8.70%

发文量

7524

审稿时长

1.4 months

期刊介绍： Molecules (ISSN 1420-3049, CODEN: MOLEFW) is an open access journal of synthetic organic chemistry and natural product chemistry. All articles are peer-reviewed and published continously upon acceptance. Molecules is published by MDPI, Basel, Switzerland. Our aim is to encourage chemists to publish as much as possible their experimental detail, particularly synthetic procedures and characterization information. There is no restriction on the length of the experimental section. In addition, availability of compound samples is published and considered as important information. Authors are encouraged to register or deposit their chemical samples through the non-profit international organization Molecular Diversity Preservation International (MDPI). Molecules has been launched in 1996 to preserve and exploit molecular diversity of both, chemical information and chemical substances.