Bertrand Siboulet

Scientist CEA/Nuclear Energy Division


ICSM/LMCT (Bât. 426)
Site de Marcoule
BP 17171
F-30207 Bagnols-sur-Cèze Cedex
Tel: +33 4 66 79 62 53
Fax: +33 4 66 79 76 11
e-mail : bertrand.siboulet ad


Scientific positions

Since 2010Scientist at ICSM, Marcoule Institute for Separation Chemsitry, Marcoule
2004 – 2010Scientist at CEA, Nuclear Energy Division


Research Areas

  • Modelling of actinide clusters in aqueous solution,
  • Modelling of liquids in confined systems, such as water in porous silica, at molecular and mesoscopic levels. 



10. The Origin of Isotope Effects in Sonoluminescence Spectra of Heavy and Light Water
A. A. Ndiaye, R. Pflieger, B. Siboulet and S. I. Nikitenko
Angew. Chem. Int. Ed52 (9), 2478 (2013).

9. Nonequilibrium Vibrational Excitation of OH Radicals Generated During Multibubble Cavitation in Water
A. A. Ndiaye, R. Pflieger, B. Siboulet, J. J. Molina, J.-F. Dufrêche and S. I. Nikitenko
J. Phys. Chem. A 116 (20), 4860 (2012).

8. Stability and Instability of the Isoelectronic UO22+ and PaO2+ Actinyl Oxo-Cations in Aqueous Solution from Density Functional Theory Based Molecular Dynamics
R. Spezia, B. Siboulet, S. Abadie, R. Vuilleumier and P. Vitorge
J. Phys. Chem. B 115(13), 3560 (2011).

7. Hydrophobic Transition in Porous Amorphous Silica
B. Siboulet, B. Coasne, J.-F. Dufrêche and P. Turq
J. Phys. Chem. B 115(24), 7881 (2011).

6. The use of models to understand the aqueous chemistry of uranium.
P. Vitorge, B. Siboulet, C. J. Marsden, Th. Vercouter
In Uranium: Compounds, Isotopes and Applications, Nova publishers (2009).

5. Infrared spectroscopy of dioxouranium(V) complexes with solvent molecules: Effect of reduction.
G. S. Groenewold, M. J. Van Stipdonk, W. A. de Jong, J. Oomens, G. L. Gresham, M. E. McLlwain, D. Gao, B. Siboulet, L. Visscher, M. Kullman, N. Polfer
Chem. Phys. Chem 9(9), 1278 (2008).

4. Infrared Spectroscopy of Discrete Uranyl Anion Complexes.
G. S. Groenewold, A. K. Gianotto, M. E. McIlwain, M. J. Van Stipdonk, M. Kullman, D. T. Moore, N. Polfer, J. Oomens, I. Infante, L. Visscher, B. Siboulet, W. A. de Jong
J. Phys. Chem. A 112(3), 509 (2008).

3. What Can Quantum Chemistry Tell Us about Pa(V) Hydration and Hydrolysis?
B. Siboulet, P. Vitorge, C. J. Marsden
New J. Chem., 32(10), 2080 (2008).
New J. Chem. 32, 2080 (2008)

2. Estimating the stabilities of actinide aqueous species. Influence of sulfoxy-anions on uranium(IV) geochemistry and discussion of Pa(V) first hydrolysis.
P. Vitorge, V. Phrommavanh, B. Siboulet, D. You, Th. Vercouter, M. Descostes, C. J. Marsden, C. Beaucaire, J. P. Gaudet
Comptes Rendus Chimie Special Issue (2007).

1. A theoretical study of uranyl solvation: Explicit modelling of the second hydration sphere by quantum mechanical methods.
B. Siboulet, C. J. Marsden, P. Vitorge
Chem. Phys. 326(2-3), 289 (2006).