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Updated: Jan 24, 2026

UV-Vis Spectroscopic Characterization of Nanomaterials in Aqueous Media
Published on: October 25, 2021
Metal ion interactions with methyl gallate characterized by UV spectroscopic and computational methods
Liangliang Zhang1, Yuchen Liu2, Xinyu Hu1
1Institute of Chemical Industry of Forest Products, CAF, Nanjing 210042, China; Key Lab. of Biomass Energy and Material, Jiangsu Province, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210042, China.
Methyl gallate (MeG) forms complexes with metal ions, with the strongest binding observed for aluminum (Al3+). Complex formation is pH-dependent, and computational methods reveal insights into the electronic structure of these metal-MeG complexes.
Area of Science:
- Analytical Chemistry
- Computational Chemistry
- Biochemistry
Background:
- Methyl gallate (MeG) is a biologically active phenolic compound.
- Understanding metal-MeG interactions is crucial for various applications.
Purpose of the Study:
- To identify the nature of complexes formed between methyl gallate and Al3+, Fe3+, Cu2+, and Sn2+.
- To investigate the influence of pH on complex formation.
- To elucidate the electronic properties of these complexes using computational methods.
Main Methods:
- Ultraviolet (UV) spectroscopy was employed to analyze complex formation.
- Computational quantum-chemical methods, specifically density functional theory, were utilized.
- Electronic spectra were modeled with water as a solvent.
Main Results:
- Methyl gallate exhibited the highest formation constant with Al3+ among the studied metal ions.
- Complexation is a pH-dependent process.
- At pH 6.0, 1:1 complexes formed with Al3+, Fe3+, and Sn2+, while Cu2+ formed 2:3 complexes.
- Computational analysis indicated significant changes in electronic delocalization within the MeG-Al complex.
- Chelation of Al3+ was confirmed to occur at double-deprotonated phenolic hydroxyls.
Conclusions:
- The study successfully characterized methyl gallate complexes with several metal ions.
- Al3+ forms the most stable complex with methyl gallate.
- Computational modeling provides a reliable method for understanding the electronic structure and bonding in these complexes.
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