The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity-Reference-Cited by-同舟云学术

The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity

Published:2017 Issue:42 Volume:19 Page:28993-29004
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Caralampio Daniel Z.¹²³⁴,Martínez José M.¹²³⁴,Pappalardo Rafael R.¹²³⁴^ORCID,Marcos Enrique Sánchez¹²³⁴^ORCID

Affiliation:

1. Departmento de Quimica Fisica

2. Universidad de Sevilla

3. 41012-Seville

4. Spain

Abstract

Hydration shells around Rb⁺ and Cs⁺ are not symmetric; the cation and the 1st-shell water mass center are separated by ∼0.4 Å, and this is supported by agreement between the theoretical and experimental EXAFS spectrum.

Funder

Consejería de Economía, Innovación, Ciencia y Empleo, Junta de Andalucía

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05346K

Reference82 articles.

1. D. T. Richens , The Chemistry of Aqua Ions, John Wiley, Chichester, 1997

2. Y. Marcus , Ions in Solution and Their Solvation, John Wiley & Sons, 2015

3. Investigation of cesium adsorption on soil and sediment samples from Fukushima Prefecture by sequential extraction and EXAFS technique

4. M. Magini , G.Licheri, G.Paschina, G.Piccaluga and G.Pinna, X-ray Diffraction of ions in Aqueous Solutions: Hydration and Complex Formation, CRC Press, Inc., Boca Raton, 1988

5. An anomalous x-ray diffraction study of the hydration structures of Cs+ and I− in concentrated solutions

Cited by 42 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The structure maker-structure breaker categories for aqueous electrolytes signify strength of Lewis acidity/basicity relative to water;Journal of Molecular Liquids;2024-02

2. Modeling Environment Effects on Heavy-Element Compounds;Comprehensive Computational Chemistry;2024

3. A hybrid forces Quantum Mechanical Charge Field Molecular Dynamics of Cs⁺ ion in aqueous ammonia: A solvation lability, “structure breaking” phenomenon and hydrogen bond properties;International Journal of Quantum Chemistry;2023-12-28

4. An inorganic-rich but LiF-free interphase for fast charging and long cycle life lithium metal batteries;Nature Communications;2023-12-18

5. An Electrochemical Perspective of Aqueous Zinc Metal Anode;Nano-Micro Letters;2023-11-17