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用于分光光度法测定锌（II）的无离心机浊点萃取系统中的单核和双核配合物。

Mono- and Binuclear Complexes in a Centrifuge-Less Cloud-Point Extraction System for the Spectrophotometric Determination of Zinc(II).

作者信息

Gavazov Kiril B, Racheva Petya V, Saravanska Antoaneta D, Genc Fatma, Delchev Vassil B

机构信息

Department of Chemical Sciences, Faculty of Pharmacy, Medical University of Plovdiv, 120 Buxton Bros Str., 4004 Plovdiv, Bulgaria.

Faculty of Pharmacy, Istanbul Yeni Yüzyıl Üniversitesi, 26 Yılanlı Ayazma Caddesi, 34010 Istanbul, Turkey.

出版信息

Molecules. 2024 Sep 23;29(18):4511. doi: 10.3390/molecules29184511.

DOI:10.3390/molecules29184511
PMID:39339505
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11434516/
Abstract

The hydrophobic reagent 6-hexyl-4-(2-thiazolylazo)resorcinol (HTAR) was investigated as part of a cloud-point extraction (CPE) system for the spectrophotometric determination of Zn(II). In the system, complexes with different stoichiometries, including 1:1 and 2:2 (Zn:HTAR), are formed. Their ground-state equilibrium geometries were optimized at the B3LYP/6-31G level of theory. The obtained structures were then used to calculate vertical excitation energies in order to generate theoretical UV/Vis absorption spectra. The comparison between theoretical and experimental spectra demonstrated that, under optimal conditions, a binuclear complex containing oxygen-bridging atoms is the dominant species. The absorbance was found to be linearly dependent on the concentration of Zn(II) within the range of 15.7 to 209 ng mL ( = 0.9996). The fraction extracted (%), logarithm of the conditional extraction constant (log ), and molar absorption coefficient () at = 553 nm were calculated to be 98.3%, 15.9, and 4.47 × 10 L mol cm, respectively. The method developed is characterized by simplicity, convenience, profitability, sensitivity, and ecological friendliness. It has been successfully applied to the analysis of pharmaceutical and industrial samples.

摘要

作为用于分光光度法测定锌（II）的浊点萃取（CPE）系统的一部分，对疏水性试剂6-己基-4-（2-噻唑基偶氮）间苯二酚（HTAR）进行了研究。在该系统中，形成了具有不同化学计量比的配合物，包括1:1和2:2（锌：HTAR）。在B3LYP/6-31G理论水平上优化了它们的基态平衡几何结构。然后使用获得的结构计算垂直激发能，以生成理论紫外/可见吸收光谱。理论光谱与实验光谱的比较表明，在最佳条件下，含氧桥连原子的双核配合物是主要物种。发现在15.7至209 ng mL范围内吸光度与锌（II）的浓度呈线性相关（ = 0.9996）。计算得出在 = 553 nm处的萃取率（%）、条件萃取常数的对数（log ）和摩尔吸收系数（）分别为98.3%、15.9和4.47×10 L mol cm。所开发的方法具有简单、方便、经济、灵敏和环保的特点。它已成功应用于药物和工业样品的分析。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/07478b229553/molecules-29-04511-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/c6210d05bce9/molecules-29-04511-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/031c7f7b3ec3/molecules-29-04511-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/ac7f06e511a9/molecules-29-04511-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/098117bbebed/molecules-29-04511-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/6adc9532c717/molecules-29-04511-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/691fcbfac5ba/molecules-29-04511-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/34527213c939/molecules-29-04511-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/5ec8eb7529f6/molecules-29-04511-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/dab63fc49019/molecules-29-04511-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/07478b229553/molecules-29-04511-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/c6210d05bce9/molecules-29-04511-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/b5c852e086be/molecules-29-04511-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/1f211d413abc/molecules-29-04511-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/031c7f7b3ec3/molecules-29-04511-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/ac7f06e511a9/molecules-29-04511-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/098117bbebed/molecules-29-04511-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/6adc9532c717/molecules-29-04511-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/691fcbfac5ba/molecules-29-04511-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/34527213c939/molecules-29-04511-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/5ec8eb7529f6/molecules-29-04511-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/dab63fc49019/molecules-29-04511-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/553b/11434516/07478b229553/molecules-29-04511-g012.jpg

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