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Titolo:
Do perchlorate and triflate anions bind to the uranyl cation in an acidic aqueous medium? A combined EXAFS and quantum mechanical investigation
Autore:
Semon, L; Boehme, C; Billard, I; Hennig, C; Lutzenkirchen, K; Reich, T; Rossberg, A; Rossini, I; Wipff, G;
Indirizzi:
CNRS, IN2P3, Inst Rech Subatom Chim Nucl, F-67037 Strasbourg 2, France CNRS Strasbourg France 2 Subatom Chim Nucl, F-67037 Strasbourg 2, France Univ Louis Pasteur Strasbourg 1, Lab Modelisat & Simulat Mol, UMR 7551, F-67000 Strasbourg, France Univ Louis Pasteur Strasbourg 1 Strasbourg France F-67000 sbourg, France Forschungszentrum Rossendorf EV, Inst Radiochem, D-01314 Dresden, Germany Forschungszentrum Rossendorf EV Dresden Germany D-01314 Dresden, Germany
Titolo Testata:
CHEMPHYSCHEM
fascicolo: 10, volume: 2, anno: 2001,
pagine: 591 - 598
SICI:
1439-4235(20011015)2:10<591:DPATAB>2.0.ZU;2-X
Fonte:
ISI
Lingua:
ENG
Soggetto:
ABSORPTION FINE-STRUCTURE; COORDINATION CHEMISTRY; TRIVALENT LANTHANIDE; INCLUSION COMPLEX; = U; UO22+; HYDRATION; CRYSTAL; NITRATE; ION;
Keywords:
ab initio calculations; coordination modes; EXAFS spectroscopy; solvent effects; uranyl cation;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
46
Recensione:
Indirizzi per estratti:
Indirizzo: Lutzenkirchen, K CNRS, IN2P3, Inst Rech Subatom Chim Nucl, F-67037 Strasbourg 2, France CNRS Strasbourg France 2 , F-67037 Strasbourg 2, France
Citazione:
L. Semon et al., "Do perchlorate and triflate anions bind to the uranyl cation in an acidic aqueous medium? A combined EXAFS and quantum mechanical investigation", CHEMPHYSCHE, 2(10), 2001, pp. 591-598

Abstract

Structural properties of uranyl cations in acidic aqueous perchlorate and triflate solutions were investigated using uranium L-1-edge extended X-ray absorption fine-structure spectroscopy (EXAFS) in conjunction with quantum mechanical calculations of gas-phase model complexes. EXAFS spectra were measured in aqueous solutions of up to 10 M triflic and 11.5 M perchloric acid, as well as mixtures of perchloric acid and sodium perchlorate. In no case is the perchlorate anion coordinated to UO22+. The number of equatorial water molecules bound to UO22+ is always about five. In the case of the 10 MCF3SO3H solution, an inner-sphere complexation of the triflate is observedwith a U-S radial distance of 3.62 Angstrom. These results are in qualitative agreement with quantum mechanical calculations of model uranyl complexes, according to which the interaction energies of anions follow the order perchlorate < triflate much less than nitrate.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 29/09/20 alle ore 23:08:52