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题名: Structure of Aqueous Potassium Tetraborate Solutions
作者: Zhu Fayan ;  房春晖 ;  房艳 ;  周永全 ;  Xu Sha ;  Tao Song ;  Cao Lingdi
刊名: ACTA CHIMICA SINICA
出版日期: 2012
卷号: 70, 期号:4, 页码:445-452
关键词: potassium tetraborate ;  solution structure ;  x-ray scattering ;  contact
英文摘要: The pH of aqueous K2B4O7 solutions at 298.15 and 323.15 K at a wide range of concentration has been determined and the chemical species distribution of the solutions calculated from equilibrium constants by Newton iterative algorithm. The chemical species of typical samples were confirmed by Raman spectrum. The results show that the major species B4O5(OH)(4)(2-) and the minor chemical species B3O3(OH)(4)(-) and B(OH)(4)(-) exist in highly concentrated aqueous solutions. The structure of highly concentrated aqueous K2B4O7 solutions at 298 and 323 K was studied by X-ray scattering further. The interactions of intra-anion, interionic and intermolecular of B4O5(OH)(4)(2-), B3O3(OH)(4)(-) and B(OH)(4)(-) were descripted quantitatively by geometrical model and calculated by least square method. The model calculation and refinement provided distance and coordination number between atoms in boroxol six-member ring, which are in good agreement with the crystal structure. The order degree in intra-anion is high in concentrated aqueous solutions. At the same time, we gained information about the hydration number and hydration distance of K+, borate ions and contact ion-pair. We also briefly discussed the effect of temperature and concentration on solvent structure. The pH of aqueous K2B4O7 solutions at 298.15 and 323.15 K at a wide range of concentration has been determined and the chemical species distribution of the solutions calculated from equilibrium constants by Newton iterative algorithm. The chemical species of typical samples were confirmed by Raman spectrum. The results show that the major species B4O5(OH)(4)(2-) and the minor chemical species B3O3(OH)(4)(-) and B(OH)(4)(-) exist in highly concentrated aqueous solutions. The structure of highly concentrated aqueous K2B4O7 solutions at 298 and 323 K was studied by X-ray scattering further. The interactions of intra-anion, interionic and intermolecular of B4O5(OH)(4)(2-), B3O3(OH)(4)(-) and B(OH)(4)(-) were descripted quantitatively by geometrical model and calculated by least square method. The model calculation and refinement provided distance and coordination number between atoms in boroxol six-member ring, which are in good agreement with the crystal structure. The order degree in intra-anion is high in concentrated aqueous solutions. At the same time, we gained information about the hydration number and hydration distance of K+, borate ions and contact ion-pair. We also briefly discussed the effect of temperature and concentration on solvent structure.
收录类别: SCI
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内容类型: 期刊论文
URI标识: http://ir.isl.ac.cn/handle/363002/2072
Appears in Collections:青海盐湖研究所知识仓储(2014年之前)_期刊论文

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Recommended Citation:
Zhu Fayan,Fang Chunhui,Fang Yan,et al. Structure of Aqueous Potassium Tetraborate Solutions[J]. ACTA CHIMICA SINICA,2012,70(4):445-452.
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