Title :

First structural characterization of Pa(IV) in aqueous solution and quantum chemical investigations of the tetravalent actinides up to Bk(IV): the evidence of a curium break

Author(s) :

Vallet, Valérie [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Banik, Nidhu L [Auteur]
Réal, Florent [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Belmecheri, Réda [Auteur]
Schimmelpfennig, Bernd [Auteur]
Institut für Nukleare Entsorgung [INE]
Rothe, Jörg [Auteur]
Institut für Nukleare Entsorgung [INE]
Marsac, Rémi [Auteur]
Institut für Nukleare Entsorgung [INE]
Lindqvist-Reis, Patric [Auteur]
Institut für Nukleare Entsorgung [INE]
Walther, Clemens [Auteur]
Denecke, Melissa A. [Auteur]
Marquardt, Christian [Auteur]
Institut für Nukleare Entsorgung [INE]

Conference title :

46èmes Journées des Actinides (46th JdA)

City :

Alpes d'Huez

Country :

France

Start date of the conference :

2016-03-16

Publication date :

2016-01-14

HAL domain(s) :

Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]

English abstract : [en]

While for the tetravalent An Th, U, Np, and Pu, an understanding of their chemistry in aquatic solution was achieved recently, this is not the case for the Pa(IV). Its simple 5f¹ ground-state electronic configuration ...
Show more >While for the tetravalent An Th, U, Np, and Pu, an understanding of their chemistry in aquatic solution was achieved recently, this is not the case for the Pa(IV). Its simple 5f¹ ground-state electronic configuration enables speciation by complementary spectroscopic methods, such as XAFS, TRLFS and UV-Vis, and is also of interest for quantum chemical (QC) studies to probe the nature of the An-water bonds across the An series. The combined results of EXAFS and QC data suggest that the Pa⁴⁺ aqua ion binds on the average 9 water molecules in its first hydration sphere. The An-O bond distances follow the monotonic decreasing trend of the An⁴⁺ ionic radii, with a decrease of the hydration number from 9 to 8 for the heaviest ions Cm⁴⁺ and Bk⁴⁺, marking a “Curium break” [1].[1] N. L. Banik, V. Vallet, F. Réal, R. M. Belmécheri, B. Schimmelpfennig, J. Rothe, R. Marsac, P. Lindqvist-Reis, C. Walther, M. A. Denecke and C. M. Marquardt, Dalton Trans. 45, 453–457 (2016).Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

ANR Project :

Physiques et Chimie de l'Environnement Atmosphérique

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL