Preliminary studies of XANES and DFT calculation of Ru extraction by imino-diacetamide and related compounds

Sasaki, Yuji ; Nakase, Masahiko*; Kaneko, Masashi ; Kobayashi, Toru ; Takeshita, Kenji*; Matsumiya, Masahiko*

We conducted three field researches on Ru-extraction, XANES, and DFT-calculation. The order of the distribution ratio, D(Ru), from acid, HCl HSO HNO HClO, by MIDOA is studied by XANES spectra, which indicates the valency change of Ru in HCl media and supports the ion pairing extraction of anionic Ru ion and cationic MIDOA. The same extractant trend, NTAamide MIDOA IDOA, due to D values as the energy gap of HOMO and LUMO could be found by DFT calculation, which suggests that the reaction heat has a positive correlation with extractability for extractant.

Language	:	English
Journal	:	Analytical Sciences
Volume	:
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Pages	:	5 Pages
Publication Year/Month	:	2023/00
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Paper URL	:	https://doi.org/10.1007/s44211-023-00453-y
DOI for research data	:
Keywords	:	Ru抽出; XANESスペクトル; DFT計算
Research Facility	:	第4研究棟
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Article of JAEA R&D Review	:
Cooperating Institute	:	東京工業大学

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Registration No. : AA20221000
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