A Study of the Structure of Aqueous Rubidium Tetraborate Solutions

Zhu, Fayan; Miao, J. T.; Zhou, Yongquan; Liu, Hongyan; Fang, Yan; Fang, Chunhui

doi:10.1007/s10953-020-00969-1

Cited by 2 publications

(2 citation statements)

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“…A-IM1 transfers to the transition state A-TS1 after absorbing 30.7 kJ/mol energy. In this process, the energy absorbed by breaking the hydrogen bond O (20) H ( 28) …O (26) is more than the energy released by forming the bond between B ( 12) O (20) and B (10) O (5) .…”

Section: Methodsmentioning

confidence: 99%

“…Studies have shown that the main factors affecting the distribution and interconversion of boron-containing species in borate solutions include temperature, pH, total boron concentration, and coexisting ions. 9,[17][18][19][20][21][22] On the other hand, x-ray diffraction [23][24][25][26] and extended x-ray absorption fine structure (EXAFS) 27,28 methods are also used to study the structure of borate solutions, giving the hydration number of anions and cations, hydration distance and ion pairs. These studies show that changes in the hydration configuration of cations affect the hydration structure and association structure of borate ions, and changes in the hydration and association structures of borate ions further affect the direction and progress of the hydrolysis, condensation, and depolymerization processes of borate species.…”

Section: Introductionmentioning

confidence: 99%

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Hydrolysis mechanism of the cyclohexaborate anion: Unraveling the intricacies

Jia,

Wang,

Song

et al. 2024

J Comput Chem

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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.

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Section: Methodsmentioning

confidence: 99%