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- W2990736615 abstract "Abstract [B 4 O 5 (OH) 4 2− ] is a representative borate anion with a double six‐membered ring structure, but there is limited knowledge about the hydrolysis mechanisms of [B 4 O 5 (OH) 4 2− ]. Density functional theory‐based calculations show that the tetraborate ion undergoes three‐step hydrolysis to form [B(OH) 4 − ] and an ring intermediate, [B 3 O 2 (OH) 6 − ]. Other new structures, such as linear trimer, branched tetraborate, analogous linear tetraborate, are observed, but they are not stable in neutral systems and change to ring structures. [B 3 O 2 (OH) 6 − ] hydrolyzes to [B(OH) 4 − ] and [B(OH) 3 ] in the last two steps. The structure of borate anion and the coordination environment of the bridge oxygen atom control the hydrolysis process. [B 4 O 5 (OH) 4 2− ] always participates in the hydrolysis reaction, even with a decrease in concentration. [B 3 O 3 (OH) 4 − ], [B(OH) 4 − ], and [B(OH) 3 ] have different roles in “water‐poor” and “water‐rich” zones. Concentration and pH of solution are the key factors that affect the distribution of borate ions." @default.
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- W2990736615 date "2019-11-23" @default.
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- W2990736615 title "Mechanism for hydrolysis of double six‐membered ring tetraborate anion" @default.
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- W2990736615 doi "https://doi.org/10.1002/qua.26118" @default.
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