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- Title
Diperoxo Pertechnetic Acid Characterized by Spectroscopic and Quantum Chemical Studies.
- Authors
Poineau, Frederic; Weck, Philippe F.; Burton‐Pye, Benjamin P.; Kim, Eunja; Francesconi, Lynn C.; Sattelberger, Alfred P.; German, Konstantin E.; Czerwinski, Kenneth R.
- Abstract
The reaction of Tc(+7) with H2O2 has been studied in HNO3 and the speciation of technetium was performed by UV/Vis spectroscopic analysis. UV/Vis measurements show that for HNO3 concentrations of more than 7 M and H2O2 concentrations of 4.25 M, Tc(+7) reacts immediately and red solutions are obtained, whereas no reaction occurs at H2O2 concentrations of 0.1 M. The UV/Vis spectra of the red solutions exhibit a single band centered at 500 nm that is attributed to a Tc(+7) peroxo species. The nature of the Tc(+7) peroxo species was investigated by computational methods. The structures and electronic spectra of the putative species Tc(O2)4-, TcO(O2)3-, TcO3(O2)-, TcO(O2)2(H2O)(OH), and TcO2(O2)(H2O)2(OH) were studied by first principles methods. Calculations show these species to be stable; their calculated spectra were compared to the experimental spectrum and the results are consistent with the presence of diperoxo pertechnetic acid, i.e., TcO(O2)2(H2O)(OH).
- Subjects
PERTECHNETATE; TECHNETIUM; PEROXIDES; NITROGEN oxides; DENSITY functionals; QUANTUM chemistry; ULTRAVIOLET spectroscopy
- Publication
European Journal of Inorganic Chemistry, 2013, Vol 2013, Issue 26, p4595
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.201300383