In this study, we develop a new strategy for dechlorination of atrazine using hydrogen peroxide (H₂O₂) at pH ≥ 11.0 without addition of any other reagents at room temperature. Scavenging experiments, isotope experiments, theoretical calculation, and high resolution mass spectra reveal that the hydroperoxide anion (HO₂^–), the product of deprotonation of H₂O₂, can induce dechlorination of atrazine to form triazinyl hydroperoxide (C₈H₁₄N₅OOH) via nucleophilic substitution. Subsequently, the as-obtained C₈H₁₄N₅OOH reacts with reductive HO₂^– to generate C₈H₁₄N₅OOOH. Finally, hydroxyatrazine (C₈H₁₄N₅OH) is generated through intramolecular redox decomposition of C₈H₁₄N₅OOOH. Even though atrazine cannot be completely mineralized by this method, this H₂O₂-induced dechlorination of atrazine can greatly decrease their biological toxicity. In addition, the alkaline H₂O₂ system also achieves outstanding performance in dechlorination of other typical chlorotriazine herbicides such as simazine, propazine, and terbutylazine. The typical coexisted ions of Cl^– and NH₄⁺ show negligible effect on degradation of these chlorotriazine herbicides. This study will have an important implication on the potential application of alkali-H₂O₂ for treatment of chlorotriazines manufacturing wastewater.

中文翻译：

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用碱-H2O2 处理将莠去津转化为羟基特拉津：碱性条件下的有效脱氯策略

在这项研究中，我们开发了使用氢的莠去津脱氯的新策略过氧化物（H ₂ ö ₂）在pH≥11.0不添加任何其它试剂在室温下。清除实验，同位素实验，理论计算，和高分辨率质谱表明该氢过氧化物阴离子（HO ₂ ^- ）中，H去质子化的产物₂ Ò ₂，可诱发莠去津的脱氯以形成三嗪基氢过氧化物（C ₈ ħ ₁₄ Ñ ₅经由亲核取代OOH）。接着，将作为-获得的C ₈ ħ _14分Ñ ₅与还原HO OOH发生反应₂ ^-生成C ₈ ħ ₁₄ Ñ ₅哦。最后，通过 C ₈ H ₁₄ N ₅ OOOH 的分子内氧化还原分解产生羟基莠去津（C ₈ H ₁₄ N ₅ OH）。即使阿特拉津不能完全通过该方法矿化，这ħ ₂ ö ₂莠去津的诱导脱氯可以大大降低其生物毒性。此外，碱性H- ₂ ö ₂系统还实现了其它典型的氯代三嗪除草剂，如西玛津，扑灭津，和terbutylazine的脱氯出色的性能。Cl ^-和 NH ₄ ⁺的典型共存离子对这些氯三嗪类除草剂的降解作用可忽略不计。本研究将对碱-H的潜在应用的一个重要含义₂ ö ₂用于治疗氯三嗪的制造废水。