4-tert-butylphenol (4-tBP) is a phenolic endocrine disrupting chemical that has attracted great attention due to its wide occurrence, environmental persistence, and possible toxic effects. In this study, we systematically investigated the transformation of 4-tBP in ferrate (VI) oxidation process. The second-order reaction rate constant (k_app) of Fe(VI) with 4-tBP decreases with solution pH, and the k_app value was determined as 295 M⁻¹·s⁻¹ at pH 8.0. The removal efficiency of 4-tBP was slightly decreased by Mg²⁺ and HCO₃^–, while accelerated at varying degrees by the presence of Cu²⁺ and humic acid. Product analysis revealed that 4-tBP was mainly transformed into hydroxylation products, benzene-ring cleavage products, dimers and higher polymerization products via oxygen atom transfer, ring-opening of the benzene ring and radical coupling reaction. Furthermore, initial reactions of 4-tBP were rationalized by theoretical analysis of atom partial charges, frontier electron densities, and spin densities. Nearly complete removal of 4-tBP (20 μM) was achieved after 5 min of reaction in both ultrapure water and natural waters, demonstrating the feasibility of this Fe(VI) oxidation method in treating phenols-contaminated waters.

4-叔丁基苯酚（4-tBP）是一种破坏酚类内分泌的化学物质，由于其广泛存在，环境持久性和可能的​​毒性作用而备受关注。在这项研究中，我们系统地研究了4-tBP在高铁酸盐（VI）氧化过程中的转化。Fe（VI）与4-tBP的二阶反应速率常数（k _app）随溶液pH值降低，在pH 8.0时k _app值确定为295 M ^-1 ·s ^-1。4-TBP的去除效率略有下降被Mg ²⁺和HCO ₃ ^- ，而在由铜的存在不同程度的加速²⁺和腐殖酸。产物分析表明4-tBP主要通过氧原子转移，苯环开环和自由基偶联反应转变为羟基化产物，苯环裂解产物，二聚体和高级聚合产物。此外，通过对原子部分电荷，前沿电子密度和自旋密度的理论分析合理化了4-tBP的初始反应。在超纯水和天然水中反应5分钟后，几乎可以完全去除4-tBP（20μM），这证明了这种Fe（VI）氧化方法在处理受酚污染的水中的可行性。