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Structure of aqueous potassium tetraborate solutions by X-ray scattering

机译:四硼酸钾水溶液的X射线散射结构

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摘要

The borate species in aqueous potassium tetraborate solution were obtained according to the chemical species distribution diagram and the Raman spectrum. X-ray scattering is used to study the solutions with salt-water molar ratios of 1: 25, 1: 20 and 1: 15 at 298 and 323 K. The model calculation and model refinement programmes are used to calculate the structure parameters r_(i-j), b_(i-j) and n_(i-j). It manifests that the first hydration distance of K~+is ~0.29 nm, with an average hydrated number of 8.0. The hydration bond peak is around 0.278 nm and the coordination number is from 1.9 to 2.4. Borate anions coordinate with K~+ ions in the mono-dentate form, the average distance of K-B is 0.38 nm. The distance of B-H_2O in hydrated anion is from 0.37 to 0.38 nm with the hydrated number 4-9. The other interaction such as water shared pair interaction is also discussed.
机译:根据化学物种分布图和拉曼光谱,获得了四硼酸钾水溶液中的硼酸盐物种。 X射线散射用于研究在298和323 K下盐水摩尔比为1:25、1:20和1:15的溶液。使用模型计算和模型优化程序来计算结构参数r_( ij),b_(ij)和n_(ij)。结果表明,K〜+的首次水化距离为〜0.29 nm,平均水合数为8.0。水合键峰在0.278nm附近,配位数为1.9至2.4。硼酸根阴离子以单齿形式与K〜+离子配位,K-B的平均距离为0.38 nm。水合阴离子中B-H_2O的距离为0.37至0.38 nm,水合数为4-9。还讨论了诸如水共享对相互作用之类的其他相互作用。

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