scholarly journals STRUCTURE OF NEAREST ENVIRONMENT OF IONS IN AQUEOUS CESIUM IODIDE SOLUTIONS FROM X-RAY DIFFRACTION DATA

2017 ◽  
Vol 60 (7) ◽  
pp. 21
Author(s):  
Pavel R. Smirnov ◽  
Oleg V. Grechin ◽  
Elena A. Voevodina
Keyword(s):  
Aqueous Solutions ◽  
Diffraction Data ◽  
Ion Pairs ◽  
Diffraction Method ◽  
Cesium Iodide ◽  
Distribution Functions ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Quantitative Parameters

Comparatively large amount of works has been devoted to the investigation of the nearest environment of cesium ions in aqueous solutions. But up to date there are no precise quantitative parameters of it. Information about influence of concentration on cesium salts solutions structure is also absent. In order to get the coordination number of Cs+ ion and its dependence on the amount of dissolved salt the set of aqueous solutions of cesium iodide have been studied by X-ray diffraction method in wide concentration range under ambient conditions. Radial distribution functions (RDFs) of the solutions investigated have been calculated from experimental intensity curves of X-ray scattering. Interpretation of experimental peaks on RDFs has been made. On the basis of experimental results and literature information some physically reasonable models of solution have been constructed. Theoretical RDFs have been calculated for every model. Then an optimization procedure has also been made. On the ground of the best fitness between experimental and theoretical RDFs the optimal models for every solution have been found. All quantitative parameters have been tabulated and analyzed. Hydration numbers of Cs+ and I- increase with dilution, reaching in the solution of molar ratio 1:80 values 6.3 and 4.1, respectively. Interparticle distances of Cs+–ОН2 and I- –ОН2 are equal approximately to 0.312 and 0.359 nm. The ions do not form the second coordination shells. It has been determined that contact ion pairs Cs+–I- exist in whole concentration range investigated.Forcitation:Smirnov P.R., Grechin O.V., Voevodina E.A. Structure of nearest environment of ions in aqueous cesium iodide solutions from X-ray diffraction data. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 7. P. 21-26.

An MD Simulation of Concentrated Aqueous Solutions of Caesium Iodide

1991 ◽  
Vol 46 (12) ◽  
pp. 1083-1094 ◽  
Author(s):  
Y. Tamura ◽  
H. Ohtaki ◽  
I. Okada
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Diffraction Data ◽  
Md Simulation ◽  
Ion Pairs ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrated Ions ◽  
Effects Of Temperature ◽  
Dynamics Simulations

Abstract Molecular dynamics simulations of concentrated aqueous Csl solutions have been performed for Csl: H2O = 1:20 (2.78 molal) at 298 K and 341 K and 1:10 (5.56 molal) at 349 K. Effects of temperature and concentration on the structures of the hydrated ions, the ion pairs, and ionic aggregates are discussed by comparing the results with X-ray diffraction data obtained under similar conditions [1]

Raman Spectroscopic and X-ray Diffraction Studies on Concentrated Aqueous Zinc (II) Bromide Solution at High Temperatures

1992 ◽  
Vol 47 (3) ◽  
pp. 485-492 ◽  
Author(s):  
Toshiyuki Takamuku ◽  
Mikito Ihara ◽  
Toshio Yamaguchi ◽  
Hisanobu Wakita
Keyword(s):  
Diffraction Data ◽  
Broad Band ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Raman Spectroscopic ◽  
X Ray Scattering ◽  
Bromide Solution ◽  
Stretching Vibration ◽  
Increasing Temperature

Abstract Raman and X-ray scattering experiments have been performed on an aqueous zinc (II) bromide solution with molar ratio [ H2 0] / [ ZnBr2 ] =10 at 25 to 140 °C. The intensity of the totally symmetric Zn - Br stretching vibration (ν1) for the dibromozinc(II) complex increased with increasing temperature while that for the tetrabromo complex decreased. A broad band assigned to the symmetric Zn - O stretching vibration ( ν1 ) for the aqua zinc (II) ion decreased in intensity with increasing temperature. The X-ray diffraction data revealed that the average number of the Zn - Br interactions within the zinc (II) bromo complexes does not change with temperature, whereas the number of Br ··· Br nonbonding interactions within the complexes decreases from 1.8 at 25 °C to 1.5 at 100 °C. From both Raman and X-ray data it is concluded that with increasing temperature the dibromo species is favored, whereas the tetrabromo and aqua zinc(II) species are unstable in the solution. The analysis of the X-ray diffraction data has shown that the mean Zn - Br bond length within the zinc (II) bromo complexes shortens gradually with increasing temperature, accompanied with an increase in the interligand Br ···Br distance. This finding suggests that the Br - Zn - Br bond angle increases with decreasing Zn - Br distance for the lower zinc(II) bromo complexes. The equilibrium shift of the zinc (II) bromo complexes with temperature is discussed on the basis of ion-ion, ion-water, and water-water interactions

Crystal Structures of New Compounds Na0.5Sm4.5Ti4O15 and Na0.5Eu4.5Ti4O15

2011 ◽  
Vol 415-417 ◽  
pp. 468-471
Author(s):  
Qiao Hong Yu ◽  
Zheng Fa Li ◽  
Yong Xiang Li ◽  
Ping Zhan Si ◽  
Jiang Ying Wang ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ordinary Temperature ◽  
Europium Titanate ◽  
New Compounds

New compounds of sodium samarium titanate Na0.5Sm4.5Ti4O15and sodium europium titanate Na0.5Eu4.5Ti4O15were synthesized successfully by solid state reaction at 1300 oC and 1200 oC, respectively. The lattice parameters of Na0.5Sm4.5Ti4O15and Na0.5Eu4.5Ti4O15were determined at ordinary temperature by using X-ray powder diffraction method. Their Lattice types were determined, and their patterns were indexed. Polycrystalline X-ray diffraction data of sodium samarium titanate were listed. Differences of their crystal structures were analyzed and discussed.

An X-Ray Diffraction Study on the Structure of Concentrated Aqueous Caesium Iodide and Lithium Iodide Solutions

1987 ◽  
Vol 42 (4) ◽  
pp. 367-376 ◽  
Author(s):  
Yusuke Tamura ◽  
Isao Okada ◽  
Hitoshi Ohtaki ◽  
Toshio Yamaguchi
Keyword(s):  
Ion Pairs ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
X Ray Diffraction ◽  
Lithium Iodide ◽  
X Ray ◽  
Iodide Ions ◽  
X Ray Scattering ◽  
Hydration Structure ◽  
Contact Ion Pairs

X-Ray scattering measurements of 2.78 and 5.56 molal aqueous solutions of caesium iodide and 2.78 and 6.05 molal lithium iodide were carried out at 293 and 343 K Differences in the radial distribution functions (DRDFs) have been obtained between the caesium iodide and lithium iodide solutions of similar composition, the latter being taken as a reference for the data analysis of the former. The DRDFs show a peak arising from Cs - I contact-ion-pairs at 390 pm for all the caesium iodide solutions. The hydration structure of the caesium and iodide ions has been revealed. Effects of the concentration and temperature on the formation of ion-pairs and on the hydration structure of the ions are discussed

Synthesis, structural characterization, and hydrogen bonds of Co9(OH)14[SO4]2

2017 ◽  
Vol 72 (7) ◽  
pp. 505-510
Author(s):  
Hamdi Ben Yahia ◽  
Masahiro Shikano ◽  
Ilias Belharouak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Atmospheric Oxygen ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triclinic System

AbstractThe new compound Co9(OH)14[SO4]2 was synthesized using a hydrothermal method from LiF, Na2SO3, and Co(CH3COO)2·4H2O in a molar ratio of 1:1:1 in the presence of atmospheric oxygen. Its crystal structure was determined from single crystal X-ray diffraction data. Co9(OH)14[SO4]2 crystallizes in the triclinic system, space group P1̅ with a=7.693(2) Å, b=8.318(2) Å, c=8.351(2) Å, α=82.375(5)°, β=77.832(4)°, γ=68.395(4)°, V=484.8(2) Å3, and Z=2. Its structure is composed of cobalt-containing sheets interconnected by SO4 tetrahedra. Bent and symmetrically trifurcated hydrogen bonds have been observed. Furthermore, structural similarities with hydrozincite and brucite minerals have been noticed.

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