Structure and bonding in crystalline cesium uranyl tetrachloride under pressure
Author:
Affiliation:
1. MALTA-Consolider Team and Departamento de Química Física y Analítica
2. Universidad de Oviedo
3. Oviedo
4. Spain
5. Department of Chemistry
Abstract
First-principles simulations of Cs2UO2Cl4 under hydrostatic pressure reveal an unexpected variation of the U–O bond length and stretching vibrational frequencies.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03876J
Reference38 articles.
1. Experimental study of uranyl(VI) chloride complex formation in acidic LiCl aqueous solutions under hydrothermal conditions (T = 21 C?350 °C, Psat) using Raman spectroscopy
2. Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes in Aqueous Solution
3. Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution
4. Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density
5. Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods
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