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对迪尔特醌Ⅰ、脱氢迷尔特醌和迷尔特醌在油脂中的抗氧化作用及其构效关联进行了AM 1水平的量子化学研究 .结果表明 ,抗氧化剂 (AH)与油脂中碳中心自由基 (R·)复合成稳定自由基 (AH R·) ,可能是醌类抗氧化剂抑制或阻止油脂氧化酸败的主要机制 ,复合自由基稳定化能CRSE与诱导期测定结果的相对趋势吻合 .AH的化学活性和AH R·的稳定性对此种抗氧化作用有重要影响 .对于抗氧化剂相对活性的比较 ,AH R·中原子自旋集居分布和原子自由价是两个有价值的电子结构参数
The AM1 level of quantum chemistry study was carried out on the antioxidation and the structure-activity relationship of ditetrazone Ⅰ, dehydrogenase and quinone in oil, and the results showed that the antioxidants (AH) The synthesis of free radical (R ·) from medium carbon center into stable free radicals (AH R ·) may be the main mechanism by which quinone antioxidants inhibit or prevent the oxidative rancidity of oil. The relative value of CRSE and induction period The trend is consistent with the chemical activity of AH and the stability of AH R. This antioxidant effect has a significant impact.For the comparison of the relative activity of antioxidants, AH R · intermediate atom spin population concentration and atomic free valence are two have Electronic structural parameters of value