JRP 04-02

Partners

CEA

CNRS

FZD

Contact

C. Den Auwer
Commissariat à l'Energie Atomique/Marcoule - DEN/DRCP/SCPS/LCAM - 30207 Bagnols sur Cèze Cedex - France
E-mail e-mail

Coupling variable energy X-ray Absorption Spectroscopy and quantum chemistry : a new tool to investigate actinide molecules

Status

 
Terminated - Planned from March 2006 till September 2007

Goals

This joint research project focuses on a series of uranium iodide compounds with a cation that exhibits an interesting range of oxidation states: [U(IV)O2I2(Py)3 ], [U(IV)I4(Py)3] and [U(III)I3(Py)4]. The interest in this series of compounds originates from the great lability of the I- anion and its potential for convenient entry into original uranium chemistry. The questions, that will be addressed throughout this study, are:

  • How does the formal uranium oxidation state reflect its electronic charge, going from U(III) to U(VI) compounds?
  • What are the properties of the 5f orbitals of uranium (and neptunium) at the various oxidation states (III), (IV) and (VI)?
  • At uranium oxidation state (VI), what is the influence of soft/hard donor bases on the cation-ligand bond?

Expected results

The direct impact of this joint research project concerns the fundamental understanding of ion recognition and selective chelation. In addition, the results will also contribute to two major fields of application:

  • selective extraction for fuel reprocessing;
  • decorporation in geochemical and toxicologic processes.

Reports