Do perchlorate and triflate anions bind to the uranyl cation in an acidic aqueous medium? A combined EXAFS and quantum mechanical investigation

ChemPhysChem

Volumn 2, Issue 10, 2001, Pages 591-598

  Sémon, Laurent ^a   Boehme, Christian ^a   Billard, Isabelle ^a   Hennig, Christoph ^b   Lützenkirchen, Klaus ^a   Reich, Tobias ^b   Roßberg, André ^b   Rossini, Isabelle ^a   Wipff, Georges ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

Author keywords

Ab initio calculations; Coordination modes; EXAFS spectroscopy; Solvent effects; Uranyl cation

Indexed keywords

CALCULATIONS; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; INORGANIC ACIDS; MOLECULES; POSITIVE IONS; QUANTUM THEORY; SOLVENTS; STRUCTURAL PROPERTIES; URANIUM DIOXIDE; X RAY ABSORPTION; NEGATIVE IONS;

AB INITIO CALCULATIONS; ACIDIC AQUEOUS MEDIUM; COORDINATION MODES; EXTENDED XRAY ABSORPTION FINE STRUCTURE (EXAFS) SPECTROSCOPIES; INNER-SPHERE COMPLEXATION; INTERACTION ENERGIES; QUANTUM-MECHANICAL CALCULATION; SOLVENT EFFECTS;

SODIUM COMPOUNDS;

NITRATE; PERCHLORATE; SOLVENT; TRIFLUOROMETHANESULFONIC ACID; URANIUM;

ACIDITY; AQUEOUS SOLUTION; ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; MOLECULAR INTERACTION; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0035889105     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/1439-7641(20011015)2:10<591::AID-CPHC591>3.0.CO;2-B     Document Type: Article

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