大学化学2025，Vol.40Issue(3)：132-139,8.DOI:10.12461/PKU.DXHX202405154
计算化学与紫外-可见吸收光谱法相结合揭示铬黑T指示剂的显色和变色机理
Revealing the Coloration and Color Change Mechanisms of the Eriochrome Black T Indicator through Computational Chemistry and UV-Visible Absorption Spectroscopy
摘要
Abstract
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.关键词
铬黑T(EBT)/紫外-可见吸收光谱/计算化学/结构-性能关系Key words
Eriochrome Black T(EBT)/UV-Vis absorption spectrum/Computational chemistry/Structure-property relationship分类
社会科学引用本文复制引用
李翼,曹兆祥,刘鹏,吴霞,张冬菊..计算化学与紫外-可见吸收光谱法相结合揭示铬黑T指示剂的显色和变色机理[J].大学化学,2025,40(3):132-139,8.基金项目
国家自然科学基金(22273051) （22273051）
山东省高等教育本科教学改革研究项目(Z2022024,Z2022169) （Z2022024,Z2022169）
山东省自然科学基金(ZR2022MB131,ZR2023MB072) （ZR2022MB131,ZR2023MB072）
山东大学教育教学改革研究项目(2024Z07,2023Y061,2023Y103) （2024Z07,2023Y061,2023Y103）
山东大学实验室建设与管理研究项目(20232201) （20232201）
