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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
2018
Source PublicationACTA PHYSICO-CHIMICA SINICA
Volume34Issue:5Pages:483-491
SubtypeArticle
AbstractX-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+.
KeywordRbcl Cscl Solution Structure X-ray Scattering Epsr
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordMOLECULAR-DYNAMICS SIMULATIONS ; ALKALI-METAL IONS ; DIFFRACTION EXPERIMENTS ; CHLORIDE-IONS ; WATER ; HYDRATION ; CESIUM ; NEUTRON ; LIQUIDS ; SODIUM
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000427921200009
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Document Type期刊论文
Identifierhttp://ir.isl.ac.cn/handle/363002/6432
Collection青海盐湖研究所知识仓储
盐湖资源与化学实验室
Affiliation1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Qinghai, Peoples R China
2.Fukuoka Univ, Fac Sci, Dept Chem, 8-19-1 Nanakuma, Fukuoka 8140180, Japan
Recommended Citation
GB/T 7714
Zhou Yongquan,Soga, Yoshie,Yamaguchi, Toshio,et al. Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling[J]. ACTA PHYSICO-CHIMICA SINICA,2018,34(5):483-491.
APA Zhou Yongquan,Soga, Yoshie,Yamaguchi, Toshio,Fang Yan,&Fang Chunhui.(2018).Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling.ACTA PHYSICO-CHIMICA SINICA,34(5),483-491.
MLA Zhou Yongquan,et al."Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling".ACTA PHYSICO-CHIMICA SINICA 34.5(2018):483-491.
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