Abstract In this paper, an anionic functionalized ionic liquid antioxidant [MI][C6H2(OH)3COO] was designed and synthesized by a two-step method. The structure was characterized by 1H NMR and Fourier transform infrared spectroscopy. The mechanism and antioxidant properties of the ionic liquid antioxidants were studied, and the effect on the catalytic oxidation characteristics of iron and copper ions in biodiesel. The results show that [MI][C6H2(OH)3COO] can significantly improve the oxidation stability of biodiesel and has a significant inhibitory effect on the catalytic oxidation characteristics of iron ions in biodiesel. DFT calculations show that the BDE of O-H in three phenolic hydroxyl groups in [MI][C6H2(OH)3COO] is 300-325 kJ/mol, and that of O-H in [MI][C6H2(OH)3COO]-Fe3+ chelate is 306 kJ/mol.

中文翻译：

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生物柴油离子液体抗氧化剂[MI][C6H2(OH)3COO]抗氧化机理研究

摘要 本文采用两步法设计并合成了一种阴离子功能化离子液体抗氧化剂[MI][C6H2(OH)3COO]。结构通过1H NMR和傅里叶变换红外光谱表征。研究了离子液体抗氧化剂的作用机理和抗氧化性能，以及对生物柴油中铁和铜离子催化氧化特性的影响。结果表明[MI][C6H2(OH)3COO]能显着提高生物柴油的氧化稳定性，对生物柴油中铁离子的催化氧化特性有显着的抑制作用。DFT计算表明[MI][C6H2(OH)3COO]中三个酚羟基中OH的BDE为300-325 kJ/mol，[MI][C6H2(OH)3COO]-Fe3+螯合物中OH的BDE为300-325 kJ/mol是 306 kJ/mol。