Porträt Dr. Müller, Katharina; FWOG

Dr. Katharina Müller

Head Surface Processes
Phone: +49 351 260 2439

Eye catcher

International Workshop on

Advanced Techniques in Actinide Spectroscopy 2014 (ATAS 2014)

03.–07.11.2014, Helmholtz-Zentrum Dresden-Rossendorf e.V., Germany

ATAS 2014

Complementary application of various spectroscopic techniques and their combination with theoretical approaches can lead to a more profound understanding of structures, thermo dynamics and kinetics of actinide complex formation. The workshop focuses on recent advances in actinide chemistry from both a spectroscopic and theoretical point of view. It covers vibrational spectroscopy (IR and Raman), laser-induced spectroscopy (luminescence and photoacoustic), X-ray based spectroscopies (XAS, XPS), nuclear magnetic resonance (NMR), mass spectrometries (AMS, ESI MS), and quantum chemical calculations.

Furthermore, an inter-laboratory Round-Robin test is currently in progress, using a simple chemical system investigated by different techniques at different research institutions. The test aims at a unique comparison of molecular information obtained from the different spectroscopic and theoretical methods. An extra session is planned for comprehensive discussion of the results.

Abstract book

Round Robin test

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

Müller, K.; Foerstendorf, H.; Steudtner, R.; Tsushima, S.; Kumke, M. U.; Lefèvre, G.; Rothe, J.; Mason, H.; Szabó, Z.; Yang, P.; Adam, C.; André, R.; Brennenstuhl, K.; Cho, H.; Creff, G.; Coppin, F.; Dardenne, K.; Den Auwer, C.; Drobot, B.; Eidner, S.; Hess, N. J.; Kaden, P.; Kremleva, A.; Kretzschmar, J.; Krüger, S.; Platts, J. A.; Panak, P. J.; Polly, R.; Powell, B. A.; Rabung, T.; Redon, R.; Reiller, P. E.; Rösch, N.; Rossberg, A.; Scheinost, A. C.; Schimmelpfennig, B.; Schreckenbach, G.; Skerencak-Frech, A.; Sladkov, V.; Solari, P. L.; Wang, Z.; Washton, N. M.; Zhang, X.

In the advent of the 2nd International Workshop on Advanced Techniques in Actinide Spectroscopy (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 com-plexing system – U(VI) acetate – which was selected to be independently investigated by various 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 twenty insti-tutions in seven countries participated.
The outcome of this RRT can be considered on two levels: First, conformities as well as discrepancies in the results of each spectroscopic technique and their sources are 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 pa-rameters. Second, the potentials and limitations of coupling various spectroscopic and, in particular, theoretical approaches for the comprehensive study of actinide molecule com-plexes are assessed. The additional benefits of the combined approach with regard to the exploration of the aqueous speciation of the U(VI) acetate system are elaborated.


The organizing committee of the International Workshop on Advanced Techniques in Actinide Spectroscopy (ATAS) wishes to thanks all the sponsors:

Public funding

TALISMAN - Transnational Access to Large Infrastructure for a Safe Management of ActiNide Deutsche Forschungsgemeinschaft

Gesellschaft Deutscher Chemiker
GDCh Fachbereich Nuklearchemie BMBF
GDCh Fachbereich Nuklearchemie Bundesministerium für Bildung und Forschung

Support from companies

Bruker Optik GmbH

Horiba Scientific
Bruker Optik GmbH



LOT-QuantumDesign PerkinElmer
LOT-QuantumDesign PerkinElmer Inc.


Dr. Robin Steudtner
Phone: +49 351 260 2895

Dr. Katharina Müller

Head Surface Processes
Phone: +49 351 260 2439