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Structure of aqueous potassium pentaborate solution
Zhu, F. Y.1; Fang, C. H.1; Fang, Y.1; Zhou, Y. Q.1; Ge, H. W.1; Liu, H. Y.1,2
2015-03-05
发表期刊JOURNAL OF MOLECULAR STRUCTURE
卷号1083页码:471-479
文章类型Article
摘要The structure of aqueous potassium pentaborate solution has been confirmed by species distribution calculation, synchrotron X-ray scattering, density function theory calculation. The kinds of species and the transformation relationship were investigated by species distribution calculation. The radial distribution function and the structure parameters were given out by synchrotron X-ray scattering experiment. The hydration distance of K-O(H2O) is similar to 0.294 nm with a average hydration number of 8.0. The B-O(H2O) distance in hydrated anion [B3O3(OH)(4)(H2O)(n)](-) were determined to be similar to 0.37 nm with the hydration number of 4-5. The structure and interaction energy of the first hydration sphere of [K(H2O)(n)](+) and [B3O3(OH)(4)(H2O)(n)](-) were also studied by density functional theory calculation. (C) 2014 Elsevier B.V. All rights reserved.
关键词Potassium Pentaborate Solution Structure X-ray Scattering Density Function Theory
WOS标题词Science & Technology ; Physical Sciences
关键词[WOS]TETRABORATE SOLUTIONS ; DFT ; TEMPERATURE ; RAMAN
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Physical
WOS记录号WOS:000348879500060
引用统计
文献类型期刊论文
条目标识符http://ir.isl.ac.cn/handle/363002/5743
专题青海盐湖研究所知识仓储
作者单位1.Chinese Acad Sci, Inst Salt Lakes, Key Lab Salt Resources & Chem, Xining 8100084, Qinghai, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
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GB/T 7714
Zhu, F. Y.,Fang, C. H.,Fang, Y.,et al. Structure of aqueous potassium pentaborate solution[J]. JOURNAL OF MOLECULAR STRUCTURE,2015,1083:471-479.
APA Zhu, F. Y.,Fang, C. H.,Fang, Y.,Zhou, Y. Q.,Ge, H. W.,&Liu, H. Y..(2015).Structure of aqueous potassium pentaborate solution.JOURNAL OF MOLECULAR STRUCTURE,1083,471-479.
MLA Zhu, F. Y.,et al."Structure of aqueous potassium pentaborate solution".JOURNAL OF MOLECULAR STRUCTURE 1083(2015):471-479.
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