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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 0,Vol.>> Issue()>> 0-0     doi: 10.3866/PKU.WHXB201709111         中文摘要
Accepted manuscript
Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling
ZHOU Yongquan1, SOGA Yoshie2, YAMAGUCHI Toshio2, FANG Yan1, FANG Chunhui1
1 Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008, Qinghai Province, P. R. China;
2 Department of Chemistry, Faculty of Science, Fukuoka University, 8-19-1 Nanakuma, Jonan, Fukuoka 814-0180, Japan
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X-ray scattering measurements were performed on 1.0 mol·dm-3 RbCl and CsCl aqueous solutions. The X-ray structure factors were subjected to empirical potential structure refinement to extract detailed structural information on hydrated Cl-, Rb+, Cs+, and ion association, as well as bulk water, in terms of the individual site-site pair correlation functions, coordination number distributions, and spatial density functions (three-dimensional structure). Cl- is found to have a relatively stable six-fold coordination of water molecules with a Cl--H2O distance of 0.321 nm, and without a significant cation effect on its local structure. Rb+ is surrounded on an average by 7.3 ±1.4 water molecules with a Rb+-H2O distance of 0.297 nm, whereas 8.4 ±1.6 water molecules hydrate Cs+ at a Cs+-H2O distance of 0.312 nm. It is likely that Rb+ has a stronger hydration shell than Cs+, as evidenced by the presence of the second hydration shell of the former. Contact ion-pairs are partially formed in both solutions and characterized by the Rb+-Cl- and Cs+-Cl- distances of 0.324 nm and 0.336 nm. The solvent-separated ion pairs for both ions are discernible at around 0.6 nm. Rb+ has a stronger electrostatic interaction and hence a relatively stronger ion association with Cl- than Cs+.



Keywords: RbCl   CsCl   Solution structure   X-ray scattering   EPSR  
Received: 2017-08-07 Accepted: 2017-09-03 Publication Date (Web): 2017-09-11
Corresponding Authors: FANG Chunhui Email: fangch@isl.ac.cn

Fund: The project was supported by the Nature Science Foundation of Qinghai Province, China (2015-ZJ-945Q) and Youth Innovation Promotion Association, CAS, China (2017467).

Cite this article: ZHOU Yongquan, SOGA Yoshie, YAMAGUCHI Toshio, FANG Yan, FANG Chunhui. Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling[J]. Acta Phys. -Chim. Sin., 0, (): 0-0.    doi: 10.3866/PKU.WHXB201709111

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