Characterization and comparison of Cm(III) and Eu(III) complexed with 2,6-di(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine using EXAFS, TRFLS, and quantum-chemical methods

Melissa A Denecke; André Rossberg; Petra J Panak; Michael Weigl; Bernd Schimmelpfennig; Andreas Geist

doi:10.1021/ic0511726

Characterization and comparison of Cm(III) and Eu(III) complexed with 2,6-di(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine using EXAFS, TRFLS, and quantum-chemical methods

Inorg Chem. 2005 Nov 14;44(23):8418-25. doi: 10.1021/ic0511726.

Authors

Melissa A Denecke¹, André Rossberg, Petra J Panak, Michael Weigl, Bernd Schimmelpfennig, Andreas Geist

Affiliation

¹ Forschungszentrum Karlsruhe GmbH, Institut für Nukleare Entsorgung, P.O. Box 3640, 76021 Karlsruhe, Germany.

PMID: 16270980
DOI: 10.1021/ic0511726

Abstract

The complexation of Cm(III) and Eu(III) with 2,6-di(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine (n-C3H7-BTP) in nonaqueous organic solution is studied with extended X-ray absorption spectroscopy. Bond lengths are the same in both complexes. Quantum-chemical calculations performed at different levels support this finding. On the other hand, the Cm.(n-C3H7-BTP)3 complex is formed at much lower ligand-to-metal concentration ratio than the Eu.(n-C3H7-BTP)3 complex, as shown by time-resolved laser-induced fluorescence spectroscopy. This is in good agreement with n-C3H7-BTP's high selectivity for trivalent actinides over lanthanides in liquid-liquid extraction.