根据 X 射线衍射分析得出的硝酸铈水溶液中离子配位的结构参数

IF 1.2 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
P. R. Smirnov, O. V. Grechin
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引用次数: 0

摘要

摘要 根据 X 射线衍射分析的实验数据,计算了标准条件下硝酸铈水溶液在较宽浓度范围内的径向分布函数。阐述了系统结构组织的不同模型。通过计算每个模型的理论函数并将其与实验函数进行比较,发现了最佳变体。确定了 Ce3+ 和(\text{NO}^{-}_3\)离子最近环境结构的定量特征,如配位数和粒子间距离,以及离子对的类型。发现饱和溶液的结构受非接触离子三元组的支配。浓度的降低会导致它们转变为离子对。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Structural Parameters of Ion Coordination in Aqueous Solutions of Cerium Nitrate According to the X-Ray Diffraction Analysis

Structural Parameters of Ion Coordination in Aqueous Solutions of Cerium Nitrate According to the X-Ray Diffraction Analysis

Abstract

Based on the experimental data of the X-ray diffraction analysis, radial distribution functions are calculated in a wide concentration range of aqueous cerium nitrate solutions under standard conditions. Different models of the structural organization of systems are elaborated. By the calculation of theoretical functions for each model and their comparison with the experimental ones the optimal variants are revealed. Quantitative characteristics of the structure of the nearest environment of Ce3+ and \(\text{NO}^{-}_3\) ions, such as coordination numbers and interparticle distances, are determined along with the types of ionic pairs. The structure of the saturated solution is found to be governed by non-contact ion triples. A decrease in the concentration leads to their transformation into ionic pairs.

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来源期刊
Journal of Structural Chemistry
Journal of Structural Chemistry 化学-无机化学与核化学
CiteScore
1.60
自引率
12.50%
发文量
142
审稿时长
8.3 months
期刊介绍: Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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