Citation: Yi Li, Zhaoxiang Cao, Peng Liu, Xia Wu, Dongju Zhang. Revealing the Coloration and Color Change Mechanisms of the Eriochrome Black T Indicator through Computational Chemistry and UV-Visible Absorption Spectroscopy[J]. University Chemistry, ;2025, 40(3): 132-139. doi: 10.12461/PKU.DXHX202405154 shu

Revealing the Coloration and Color Change Mechanisms of the Eriochrome Black T Indicator through Computational Chemistry and UV-Visible Absorption Spectroscopy

Yi Li ¹ ,
Zhaoxiang Cao ¹ ,
Peng Liu ^2,, ,
Xia Wu ¹ ,
Dongju Zhang ^1,,

1.
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250000, China;
2.
School of Chemistry and Chemical Engineering, Qufu Normal University, Qufu 273165, Shandong Province, China

Corresponding author: Peng Liu, Dongju Zhang,
Received Date: 27 May 2024
Revised Date: 22 July 2024

Eriochrome Black T (EBT) is a widely used metal ion indicator, whose color varies with the pH of the solution and differs significantly from the color of its metal ion complexes. This makes it an effective tool for indicating reaction endpoints, with broad applications in analytical chemistry. In this study, computational chemistry methods were used to investigate the molecular structure of EBT and its complexes with typical metal ions (Ca²⁺ and Mg²⁺), calculate their UV-visible electronic spectra, and analyze the intrinsic relationship between molecular structure and electronic spectra. Additionally, UV-visible absorption spectroscopy was employed to measure the absorption spectra of EBT solutions and its calcium and magnesium complexes under varying pH conditions. By integrating theoretical and experimental approaches, this study elucidates the mechanisms behind the coloration and color change of EBT, providing insights into the structure-property relationship of this indicator.
- Eriochrome Black T (EBT),
- UV-Vis absorption spectrum,
- Computational chemistry,
- Structure-property relationship
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