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Theoretical and experimental study of the vibrational frequencies of UO2 2+ and NpO2 2+ in highly concentrated chloride solutions

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Abstract

The ν1 symmetric vibrational frequency of UO2 2+ in chloride solutions was studied by Raman spectrometry and ab initio calculations. The ν1 frequency experimentally obtained decreased with the increase of concentration of Cl in solvent chlorides. This is attributable to that hydration water molecules in the equatorial plane of UO2 2+ are substituted by Cl− ions, which was consistent with the calculation results. The theoretical part was expanded to aqua- and chloro- Np(VI) complexes. The ν1 frequencies of neptunyl species computed were acceptable compared with the reported Raman shifts.

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References

  1. Åberg M, Ferri D, Glaser J, Grenthe I (1983) Inorg Chem 22:3986–3989

    Article  Google Scholar 

  2. Uehara A, Fujii T, Matsuura H, Sato N, Yamana H, Okamoto Y (2009) NEA/NSC/DOC 15:197–203

  3. Allen PG, Bucher JJ, Shuh DK, Edelstein NM, Reich T (1997) Inorg Chem 36:4676–4683

    Article  CAS  Google Scholar 

  4. Hennig H, Tutschku J, Rossberg A, Bernhard G, Scheinost AC (2005) Inorg Chem 44:6655–6661

    Article  CAS  Google Scholar 

  5. Uehara A, Shirai O, Fujii T, Nagai T, Yamana H (2012) J Appl Electrochem 42:455–461

    Article  CAS  Google Scholar 

  6. Frisch MJ et al (2009) Gaussian 09, Revision B.01. Gaussian, Inc, Wallingford CT

    Google Scholar 

  7. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868

    Article  CAS  Google Scholar 

  8. Perdew JP, Burke K, Ernzerhof M (1997) Phys Rev Lett 78:1396

    Article  CAS  Google Scholar 

  9. Küchle W, Dolg M, Stoll H, Preuss H (1994) J Chem Phys 100:7535–7542

    Article  Google Scholar 

  10. Basile LJ, Sullivan JC, Ferraro JR, LaBonville P (1974) Appl Spectrosc 28:142–145

    Article  CAS  Google Scholar 

  11. Nguyen-Trung C, Begun GM, Palmer DA (1992) Inorg Chem 31:5280–5287

    Article  CAS  Google Scholar 

  12. Fujii T, Fujiwara K, Yamana H, Moriyama H (2001) J Alloys Compd 323–324:859–863

    Article  Google Scholar 

  13. Brooker MH, Huang CH, Sylwestrowicz J (1980) J Inorg Nucl Chem 42:1431–1440

    Article  CAS  Google Scholar 

  14. Fujii T, Yamana H, Moriyama H (2002) J Nucl Sci Technol Suppl 3:336–339

    Google Scholar 

  15. Fujii T, Okude G, Uehara A, Yamana H (2010) IOP Conf Ser Mater Sci Eng 9:012061

    Article  Google Scholar 

  16. Shamov GA, Schreckenbach G (2005) J Phys Chem A 109:10961–10974

    Article  CAS  Google Scholar 

  17. Hay PJ, Martin RL, Schreckenbach G (2000) J Phys Chem A 104:6259–6270

    Article  CAS  Google Scholar 

  18. Tsushima S, Uchida Y, Reich T (2002) Chem Phys Lett 357:73–77

    Article  CAS  Google Scholar 

  19. Bridgeman AJ, Cavigliasso G (2003) Faraday Discuss 124:239–258

    Article  CAS  Google Scholar 

  20. Wahlgren U, Moll H, Grenthe I, Schmmelpfennig B, Maron L, Vallet V, Gropen O (1999) J Phys Chem A 103:8257–8264

    Article  CAS  Google Scholar 

  21. Sémon L, Boehme C, Billard I, Hennig C, Lützenkirchen K, Reich T, Roβberg A, Rossini I, Wipff G (2001) Chem Phys Chem 2:591–598

    Google Scholar 

  22. Vallet V, Wahlgren U, Schimmelpfennig B, Moll H, Szabo Z, Grenthe I (2001) Solvent effects on uranium(VI) fluoride and hydroxide complexes studied by EXAFS and quantum chemistry. Inorg Chem 40:3516–3525

    Article  CAS  Google Scholar 

  23. Rao L, Jiang J, Zanonato PL, Di Bernardo P, Bismondo A, Garnov AY (2002) Radiochim Acta 90:581–588

    Article  CAS  Google Scholar 

  24. Moll H, Geipel G, Reich T, Bernhard G, Fanghänel T, Grenthe I (2003) Radiochim Acta 91:11–20

    Article  CAS  Google Scholar 

  25. Newbery JE (1969) Spectrochim Acta 25A:1699–1702

    Article  Google Scholar 

  26. Dargent M, Dubessy J, Truche L, Bazarkina EF, Nguen-Trung C, Robert P (2013) Eur J Miner 25:765–775

    Article  CAS  Google Scholar 

  27. Antonio MR, Soderholm L, Williams CW, Blaaudeau JP, Bursten B (2001) Radiochim Acta 89:17–25

    Article  CAS  Google Scholar 

  28. Ikeda-Ohno A, Hennig C, Rossberg A, Funke H, Scheinost AC, Bernhard G, Yaita T (2008) Inorg Chem 47:8294–8305

    Article  CAS  Google Scholar 

  29. Takao K, Takao S, Scheinost AC, Bernhard G, Hennig C (2009) Inorg Chem 48:8803–8810

    Article  CAS  Google Scholar 

  30. Gaona X, Tits J, Dardenne K, Liu X, Rothe J, Denecke MA, Wieland E, Altmaier M (2012) Radiochim Acta 100:759–770

    Article  CAS  Google Scholar 

  31. Reich T, Bernhard G, Geipel G, Funke H, Hennig C, Rossberg A, Matz W, Schell N, Nitsche H (2000) Radiochim Acta 88:633–637

    Article  CAS  Google Scholar 

  32. Madic C, Begun GM, Hobart DE, Hahn RL (1984) Inorg Chem 23:1914–1921

    Article  CAS  Google Scholar 

  33. Fujii T, Uehara A, Kitatsuji Y, Yamana H (2014) J Radioanal Nucl Chem 301:293–296

    Article  CAS  Google Scholar 

  34. OECD Nuclear Energy Agency (2003) Update on the chemical thermodynamics of uranium, neptunium, plutonium, americium and technetium. Elsevier, Amsterdam

    Google Scholar 

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Acknowledgments

This research was partly supported by Grants-in-Aid for Scientific Research (No. 26420869) from the Ministry of Education, Culture, Sports, Science and Technology, Japan.

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Authors and Affiliations

  1. Research Reactor Institute, Kyoto University, 2-1010, Asashiro Nishi, Kumatori, Sennan, 590-0494, Japan

    Toshiyuki Fujii, Akihiro Uehara & Hajimu Yamana

  2. Sector of Nuclear Science Research, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan

    Yoshihiro Kitatsuji

Authors
  1. Toshiyuki Fujii
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  2. Akihiro Uehara
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  3. Yoshihiro Kitatsuji
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  4. Hajimu Yamana
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Correspondence to Toshiyuki Fujii.

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Fujii, T., Uehara, A., Kitatsuji, Y. et al. Theoretical and experimental study of the vibrational frequencies of UO2 2+ and NpO2 2+ in highly concentrated chloride solutions. J Radioanal Nucl Chem 303, 1015–1020 (2015). https://doi.org/10.1007/s10967-014-3340-6

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  • DOI: https://doi.org/10.1007/s10967-014-3340-6

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