Bertrand Siboulet

Chercheur CEA/DEN

 

ICSM/LMCT (Bât. 426)
Site de Marcoule
BP 17171
F-30207 Bagnols-sur-Cèze Cedex
Tel : 04 66 79 62 53
Fax : 04 66 79 76 11
e-mail : bertrand.siboulet ad cea.fr

 

Postes scientifiques

Depuis 2010Chercheur à l'ICSM, Institut de Chime Séparative de Marcoule
2004 – 2010Chercheur au CEA, Direction de l'Energie Nucléaire

 

Thèmes de recherche

  • Modélisation de clusters d'actinides en solution aqueuse,
  • Modélisation moléculaire et mésoscopique de liquides en milieux confinés, comme par exemple l'eau dans des silices poreuses.

 

Publications

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).