title: Spectroscopic evidence for selenium(IV) dimerization in aqueous solution.
abstract: The aqueous speciation of selenium(iv) was elucidated by a combined approach applying quantum chemical calculations, infrared (IR), Raman, and (77)Se NMR spectroscopy. The dimerization of hydrogen selenite (HSeO3(-)) was confirmed at concentrations above 10 mmol L(-1) by both IR and NMR spectroscopy. Quantum chemical calculations provided the assignment of vibrational bands observed to specific molecular modes of the (HSeO3)2(2-) ion. The results presented will provide a better understanding of the chemistry of aqueous Se(iv) which is of particular interest for processes occurring at mineral/water interfaces.
authors.affiliation: Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology, Bautzner Landstraße 400, 01328 Dresden, Germany. n.jordan@hzdr.de.
authors.forename: J
authors.initials: J
authors.lastname: Kretzschmar
authors.forename: N
authors.initials: N
authors.lastname: Jordan
authors.forename: E
authors.initials: E
authors.lastname: Brendler
authors.forename: S
authors.initials: S
authors.lastname: Tsushima
authors.forename: C
authors.initials: C
authors.lastname: Franzen
authors.forename: H
authors.initials: H
authors.lastname: Foerstendorf
authors.forename: M
authors.initials: M
authors.lastname: Stockmann
authors.forename: K
authors.initials: K
authors.lastname: Heim
authors.forename: V
authors.initials: V
authors.lastname: Brendler
mesh_terms: D019281:Dimerization; D009682:Magnetic Resonance Spectroscopy; D012643:Selenium / Q000737:chemistry*; D012996:Solutions; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D012996:Solutions; D012643:Selenium