is a highly polymerized borate anion of three six‐membered rings. Limited research on the hydrolysis mechanism under neutral solution conditions exists. Calculations based on density functional theory show that undergoes five steps of hydrolysis to form H3BO3 and . At the same time, there are a small number of borate ions with different degrees of polymerization during the hydrolysis process, such as triborate, tetraborate, and pentaborate anions. The structure of the borate anion and the coordination environment of the bridging oxygen atoms control the hydrolysis process. Finally, this work explains that in existing experimental studies, the reason for the low content in solution environments with low total boron concentrations is that it depolymerizes into other types of borate ions and clarifies the borate species. The conversion relationship provides a basis for identifying the possibility of various borate ions existing in the solution. This work also provides a certain degree of theoretical support for the cause of the “dilution to salt” phenomenon.

中文翻译：

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环六硼酸根阴离子的水解机理：揭开复杂的谜团

是三个六元环的高度聚合的硼酸根阴离子。对中性溶液条件下水解机理的研究有限。根据密度泛函理论计算表明，经过五步水解形成H3博3和 。同时，水解过程中还存在少量不同聚合度的硼酸根离子，如三硼酸根、四硼酸根、五硼酸根阴离子。硼酸根阴离子的结构和桥接氧原子的配位环境控制水解过程。最后，这项工作解释了，在现有的实验研究中，总硼浓度低的溶液环境中含量低的原因是它解聚成其他类型的硼酸根离子并澄清了硼酸根物种。该转换关系为识别溶液中存在各种硼酸根离子的可能性提供了基础。这项工作也为“稀释成盐”现象的成因提供了一定程度的理论支持。