Structure of Aqueous Lithium Tetraborate Solution

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	Structure of Aqueous Lithium Tetraborate Solution
	Zhou, Yongquan; Xu, Sha; Fang, Yan; Fang, Chunhui; Zhu, Fayan
刊名	JOURNAL OF CLUSTER SCIENCE
	2016-07-01
卷号	27 期号:4 页码:1131-1145
关键词	Lithium Tetraborate Special Distribution Map X-ray Scattering Radial Distribution Function
文献子类	Article
英文摘要	The structure of aqueous lithium tetraborate solutions was investigated by species distribution calculation and synchrotron X-ray scattering. It shows that the dominant species in supersaturated solution at 298.15 K is B4O5(OH) (4) (2-) and the minor species are B3O3(OH) (5) (2-) , B3O3(OH) (4) (-) and B(OH)(3). The 'intramolecular' structural parameters of B4O5(OH) (4) (2-) , such as bond length and coordination number, were gives out using density function theory calculation. X-ray scattering study shows that the distance Li-O(H2O)(I) of [Li(H2O)(4)](+) is about 0.1983 nm with the coordination number(CN) 4 in tetrahedral configuration. The B-O(H2O) distance in hydrated anion B4O5(OH)(4)(OH2) (8) (2-) is 0.3662 nm with the CN 12. The Li+-B distance is about 0.3364 nm with a coordination number similar to 1.0. The temperature effect on solution structure was also discussed.
WOS关键词	X-RAY-DIFFRACTION ; AB-INITIO CALCULATIONS ; RAMAN-SPECTROSCOPIC ANALYSIS ; MOLECULAR-DYNAMICS ; SODIUM-BORATE ; PHOTOELECTRON-SPECTROSCOPY ; POLYBORATE EQUILIBRIA ; PENTABORATE SOLUTION ; BORIC-ACID ; METAL-IONS
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000379527900004
内容类型	期刊论文
源URL	[http://ir.isl.ac.cn/handle/363002/6336]
专题	青海盐湖研究所_盐湖资源与化学实验室中国科学院青海盐湖研究所
作者单位	Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China
推荐引用方式 GB/T 7714	Zhou, Yongquan,Xu, Sha,Fang, Yan,et al. Structure of Aqueous Lithium Tetraborate Solution[J]. JOURNAL OF CLUSTER SCIENCE,2016,27(4):1131-1145.
APA	Zhou, Yongquan,Xu, Sha,Fang, Yan,Fang, Chunhui,&Zhu, Fayan.(2016).Structure of Aqueous Lithium Tetraborate Solution.JOURNAL OF CLUSTER SCIENCE,27(4),1131-1145.
MLA	Zhou, Yongquan,et al."Structure of Aqueous Lithium Tetraborate Solution".JOURNAL OF CLUSTER SCIENCE 27.4(2016):1131-1145.