Thorium nanochemistry: the solution structure of the Th(IV)-hydroxo pentamer

Journal Article · Wed Oct 10 00:00:00 EDT 2012 · Dalton T.

DOI:https://doi.org/10.1039/C2DT30243H· OSTI ID:1050089

Walther, Clemens; Rothe, Jörg; Schimmelpfennig, Bernd; Fuss, Markus ^[1]

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1. Karlsruher

Tetravalent thorium exhibits a strong tendency towards hydrolysis and subsequent polymerization. Polymeric species play a crucial role in understanding thorium solution chemistry, since their presence causes apparent solubility several orders of magnitude higher than predicted by thermodynamic data bases. Although electrospray mass spectrometry (ESI MS) identifies Th(IV) dimers and pentamers unequivocally as dominant species close to the solubility limit, the molecular structure of Th₅(OH)_y polymers was hitherto unknown. In the present study, X-ray absorption fine structure (XAFS) spectroscopy, high energy X-ray scattering (HEXS) measurements, and quantum chemical calculations are combined to solve the pentamer structure. The most favourable structure is represented by two Th(IV) dimers linked by a central Th(IV) cation through hydroxide bridges.

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: FOREIGN
• OSTI ID: 1050089
• Journal Information: Dalton T., Vol. 41, Issue (36) ; 2012
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION
CATIONS
CHEMISTRY
DIMERS
FINE STRUCTURE
HYDROLYSIS
HYDROXIDES
MASS SPECTROSCOPY
MOLECULAR STRUCTURE
POLYMERIZATION
POLYMERS
SCATTERING
SOLUBILITY
SPECTROSCOPY
THERMODYNAMICS
THORIUM