Nicolas Sieffert
Lecturer (Maître de Conférences)
Université Joseph Fourier
Grenoble. France.
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RESEARCH HIGHLIGHT
Complexation properties of UO22+ in a non-aqueous solvent:
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| Ab
initio molecular dynamics simulations revealed the existance of
cooperative polarization effects in mixed aquo/acetonitrile uranyl
complexes, where both the coordination to the metal and the presence of
persistant hydrogen bonds with the solvent lead to an increase of the
molecular dipole moment of the aquo ligand and thus strengthen its
interaction with the metal centre. This feature explain the
experimentally observed preference for H2O binding over acetonitrile, in (humid) acetonitrile solutions. See: Bühl, M.; Sieffert, N.; Chaumont, A.; Wipff, G. " Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution." Inorg. Chem.; 2011 ; 50, 299-308 http://pubs.acs.org/doi/abs/10.1021/ic101950d |
Biography
born 1981
2004 - 2007 PhD in Computational Chemistry (Prof. Georges. Wipff, University of Strasbourg, France)
2007 - 2008 Fix-term teaching and research position (Prof. Georges Wipff, University of Strasbourg, France)
2008 - 2010 Post-Doctoral Research Fellow (Prof. Michael Bühl, University of St Andrews, UK)
2010 Lecturer / Assistant professor (Maître de conférences).
Awards and Fundings
2007 PhD Award from "Société des Amis des Universités de l’Académie de Strasbourg".