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

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Abstract

We connected three research fields on Ru extraction, XANES, and DFT calculation and elucidate the sequence of distribution ratio (D) and their reactions. The magnitude order of the distribution ratio, D(Ru), from acids, HCl > H2SO4 > HNO3 > HClO4, by IDOA indicates to extract readily the stable Ru–Cl ions. The XANES signals, which suggests the electrical charge of Ru(III) extracted into the organic phase, supports the ion-pairing extraction of the anionic Ru–Cl complex with an extractant protonated. Ru(III) in other acids might be extracted by solvation of extractant, thus ion-pair extraction is stronger than solvation in Ru extraction. According to the D(Ru), the same extractant trend, NTAamide > MIDOA > IDOA, as the energy gap of HOMO and LUMO by DFT calculation is found, which suggests that DFT calculation can give the relative magnitude of each D(M) value when extractant and metal in an extraction are determined.

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References

  1. J. Chen, R. Jiao, Y. Zhu, Radiochim. Acta 86, 151 (1999)

    Article  CAS  Google Scholar 

  2. K. Hayashi, Y. Sasaki, S. Tagashira, Y. Murakami, T. Suehiro, Anal. Sci. 3(1), 55 (1987)

    Article  CAS  Google Scholar 

  3. S. Panigrahi, T. Dash, K.C. Nathsarma, K. Sarangi, Sep. Sci. Technol. 49(4), 545 (2014)

    Article  CAS  Google Scholar 

  4. E. Goralska, M.T. Coll, A. Fortuny, C.S. Kedari, A.M. Sastre, Solvent Extr. Ion Exch. 25(1), 65 (2007)

    Article  CAS  Google Scholar 

  5. S. Kedari, M.T. Coll, A. Fortuny, E. Goralska, A.M. Sastre, Sep. Sci. Technol. 40(9), 1927 (2005)

    Article  CAS  Google Scholar 

  6. H. Chida, K. Kawahara, S. Katsuta, Solvent Extr. Res. Dev. Jpn. 27(1), 135 (2020)

    Article  CAS  Google Scholar 

  7. T. Suzuki, T. Ogata, M. Tanaka, H. Narita, Solvent Extr. Res. Dev. Jpn. 27(1), 57 (2020)

    Article  CAS  Google Scholar 

  8. M. Matsumiya, Y. Song, Y. Tsuchida, Y. Sasaki, Sep. Purif. Technol. 234, 115841 (2020)

    Article  CAS  Google Scholar 

  9. H. Narita, M. Tanaka, K. Morisaku, K. Tamura, Solvent Extr. Res. Dev. Jpn. 13, 101 (2006)

    CAS  Google Scholar 

  10. H. Wu, M. Kubota, N. Osawa, S.-Y. Kim, J. Radioanal. Nucl. Chem. 326(2), 1323 (2020)

    Article  CAS  Google Scholar 

  11. R. Kinoshita, Y. Sasaki, M. Kaneko, M. Matsumiya, K. Shinoku, H. Shiroishi, (Submitted to Hydrometal)

  12. Y. Sasaki, M. Kaneko, Y. Ban, R. Kinoshita, M. Matsumiya, K. Shinoku, H. Shiroishi, Anal. Sci. (In press).

  13. T. Matsutani, Y. Sasaki, S. Katsuta, Anal. Sci. 37, 1603 (2021)

    Article  PubMed  CAS  Google Scholar 

  14. F. Neese, The ORCA program system. WIREs Comput. Mol. Sci. 2, 73 (2012)

    Article  CAS  Google Scholar 

  15. E. van Lenthe, E.J. Baerends, J.G. Snijders, J. Chem. Phys. 99, 4597 (1993)

    Article  ADS  Google Scholar 

  16. C. van Wullen, J. Chem. Phys. 109, 392 (1998)

    Article  ADS  Google Scholar 

  17. D.A. Pantazis, X. Chen, C.R. Landis, F. Neese, J. Chem. Theory Comput. 4, 908 (2008)

    Article  PubMed  CAS  Google Scholar 

  18. J. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  PubMed  ADS  CAS  Google Scholar 

  19. A. Klamt, G. Schuurmann, J. Chem. Soc. Perkin Trans. 2, 799 (1993)

    Article  Google Scholar 

  20. F. Neese, J. Comput. Chem. 24, 1740 (2003)

    Article  PubMed  CAS  Google Scholar 

  21. M. Kaneko, A. Kato, S. Nakashima, Y. Kitatsuji, Inorg. Chem. 58, 14024 (2019)

    Article  PubMed  CAS  Google Scholar 

  22. M.T. Khan, G. Ramachandraiah, R.S. Shukla, Inorg. Chem. 27, 3274 (1988)

    Article  CAS  Google Scholar 

  23. K. Vijoen, “RUTHENIUM(III) AQUA-CHLORO COMPLEX CHEMISTRY: The Interconversion of the Hexachlororuthenate(III) and Aquapentachlororuthenate(III) Species”, [Doctoral thesis, University of Stellenbosch] (2003)

  24. M. Balcerzak, E. Swipsicka, Talanta 43, 471 (1996)

    Article  PubMed  CAS  Google Scholar 

  25. T. Suzuki, T. Ogata, M. Tanaka, T. Kobayashi, H. Shiwaku, T. Yaita, H. Narita, Metals 8, 558 (2018)

    Article  Google Scholar 

  26. T. Suzuki, R. Kasuya, H. Narita, J. Jpn. Inst. Met. Mater. 8, 305 (2021)

    Article  Google Scholar 

  27. T. Arai, K. Takeda, J. Ion Exch. 6(3), 90 (1995)

    Article  ADS  CAS  Google Scholar 

  28. L. Heim, A.E. Merbach, Chem. Rev. 2005, 105 (1923). https://doi.org/10.1021/cr030726o

    Article  CAS  Google Scholar 

  29. K. Fukui, Theory of Orientation and Stereoselection, vol. 15/1 (Springer, Berlin, 1975)

    Book  Google Scholar 

  30. F. Bessac, G. Frenking, Inorg. Chem. 42, 7990 (2003)

    Article  PubMed  CAS  Google Scholar 

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Acknowledgements

XANES spectra were obtained at SPring-8 supported by Nanotechnology Platform Japan and JAEA (2019A-E10, A-19-AE-0010, 2019A3740, 2019BE08, A-19-A-0028, and 2019B3737). This work is also supported partially by a Grant-in-Aid for Scientific Research (No. 23H02002) from the Ministry of Education, Culture, Sports, Science and Technology, Japan.

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Authors and Affiliations

  1. Japan Atomic Energy Agency, 2-4 Shirakata, Tokai, Ibaraki, 319-1195, Japan

    Yuji Sasaki & Masashi Kaneko

  2. Tokyo Institute of Technology, 2-12-1, Meguro-ku, Tokyo, 152-8550, Japan

    Masahiko Nakase & Kenji Takeshita

  3. Japan Atomic Energy Agency, Sayo-cho, Sayo-gun, Hyogo, 679-5198, Japan

    Tohru Kobayashi

  4. Yokohama National University, 79-2 Tokiwadai, Hodogaya-ku, Yokohama, 240-8501, Japan

    Masahiko Matsumiya

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  1. Yuji Sasaki
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Correspondence to Yuji Sasaki.

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Sasaki, Y., Nakase, M., Kaneko, M. et al. Preliminary studies of XANES and DFT calculation of Ru extraction by imino-diacetamide and related compounds. ANAL. SCI. 40, 335–339 (2024). https://doi.org/10.1007/s44211-023-00453-y

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