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Title: Interdisciplinary round-robin test on molecular spectroscopy of the U(VI) acetate system

Journal Article · · ACS Omega
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  1. Helmholtz-Zentrum Dresden-Rossendorf
  2. VISITORS
  3. University of Potsdam
  4. CNRS-Chimie ParisTech
  5. Institut fur Nukleare Entsorgung
  6. LAWRENCE LIVERMORE
  7. LOS ALAMOS NATL LAB
  8. Karlsruhe Institute of Technology
  9. Universite de Toulon
  10. Technische Universitat Munchen
  11. BATTELLE (PACIFIC NW LAB)
  12. CNRS, Institut de Chimie de Nice
  13. Institut de Radioprotection et de Surete Nucleaire
  14. Forschungszentrum Karlsruhe, Institute for Nuclear Waste Management
  15. Institute of Resource Ecology
  16. Cardiff University
  17. Clemson University
  18. Universite Paris-Saclay
  19. ESRF, BP 220, 38043 GRENOBLE CEDEX 9, FRANCE
  20. Royal Institute of Technology
  21. University of Manitoba
  22. Univeriste Paris-Sud
  23. L’Orme des Merisiers
  24. UNIVERSITY OF MANITOBA
+ Show Author Affiliations

In the advent of the 2nd International Workshop on Advanced Techniques in Actinide Spec-troscopy (ATAS 2014), an inter-laboratory round-robin test (RRT) was initiated. The main goal of this RRT was the comprehensive molecular analysis of a simple aqueous complexing system – U(VI) acetate – which was selected to be independently investigated by various 100 spectroscopic (vibrational, luminescence, X-ray absorption, and nuclear magnetic resonance spectroscopy) and quantum chemical methods applied by leading laboratories in actinide or geochemical research. Ultimately, more than 40 scientists hosted at 20 institutions in 7 coun-tries participated. The outcome of this RRT were considered on two levels: First, conformities as well as 105 discrepancies in the results of each spectroscopic technique and their sources were evaluated. The raw data from the experimental approaches were found to be generally consistent. In particular, for complex setups such as accelerator-based X-ray absorption spectroscopy, the agreement between the raw data was surprisingly high. By contrast, the data obtained using luminescence spectroscopy turned out to be strongly related to the chosen acquisition param-110 eters. Second, the potentials and limitations of coupling various spectroscopic and, in partic-ular, theoretical approaches for the comprehensive study of actinide molecule complexes were assessed. The additional benefits of the combined approach with regard to the explora-tion of the aqueous speciation of the U(VI) acetate system were elaborated.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1572653
Report Number(s):
PNNL-SA-134583
Journal Information:
ACS Omega, Vol. 4, Issue 5
Country of Publication:
United States
Language:
English

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Infrared and Raman spectroscopic study of uranyl complexes: hydroxide and acetate derivatives in aqueous solution journal November 1998
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