Zr、Hf和Th在HNO3中的阴离子交换实验及硝酸盐配合物的量子化学研究

IF 1.8 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Solvent Extraction and Ion Exchange Pub Date : 2021-12-31 DOI:10.1080/07366299.2021.2020956

E. Watanabe, Y. Kasamatsu, T. Yokokita, S. Hayami, Katsuma Tonai, H. Ninomiya, N. Kondo, Y. Shigekawa, H. Haba, Y. Kitagawa, M. Nakano, A. Shinohara

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引用次数: 0

摘要

摘要研究了Zr、Hf和Th在硝酸中的阴离子交换行为，为104元素钌（Rf）的实验确定了合适的实验条件，并获得了用于讨论Rf的硝酸盐络合物的比较数据。Adogen 464/HNO3体系中的阴离子交换反应在60s内达到平衡，表明该反应体系适用于半衰期为68s的261Rf的实验。我们还通过量子化学计算研究了Zr、Hf和Th硝酸盐络合物的电子态。计算结果支持实验结果，即Th4+形成稳定的阴离子配合物，如[Th（NO3）6]2−，配位数为12，而Zr4+和Hf4+不形成。

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Anion-exchange Experiment of Zr, Hf, and Th in HNO3 and Quantum Chemical Study on the Nitrate Complexes toward Chemical Research on Element 104, Rf

ABSTRACT Anion-exchange behavior of Zr, Hf, and Th in nitric acid was investigated to determine suitable experimental conditions for the experiment of element 104, rutherfordium (Rf) and to obtain comparative data for discussion of nitrate complexes of Rf. Anion-exchange reactions in a Adogen 464/HNO3 system was found to reach equilibrium within 60 s, suggesting that the reaction system is suitable for the experiment of 261Rf having a half-life of 68 s. We also studied the electronic states of Zr, Hf, and Th nitrate complexes by quantum chemical calculations. The calculation results support the experimental results that Th4+ forms stable anionic complexes such as [Th(NO3)6]2− with a large coordination number of 12, while Zr4+ and Hf4+ do not.

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来源期刊

Solvent Extraction and Ion Exchange 化学-化学综合

CiteScore

4.40

自引率

5.00%

发文量

审稿时长

8.4 months

期刊介绍： Solvent Extraction and Ion Exchange is an international journal that publishes original research papers, reviews, and notes that address all aspects of solvent extraction, ion exchange, and closely related methods involving, for example, liquid membranes, extraction chromatography, supercritical fluids, ionic liquids, microfluidics, and adsorption. We welcome submissions that look at: The underlying principles in solvent extraction and ion exchange; Solvent extraction and ion exchange process development; New materials or reagents, their syntheses and properties; Computational methods of molecular design and simulation; Advances in equipment, fluid dynamics, and engineering; Interfacial phenomena, kinetics, and coalescence; Spectroscopic and diffraction analysis of structure and dynamics; Host-guest chemistry, ion receptors, and molecular recognition.