Application of quantum chemical calculations to actinide solution chemistry: spectroscopy and photochemistry
Application of quantum chemical calculations to actinide solution chemistry: spectroscopy and photochemistry
Tsushima, S.
Three examples will be presented at the talk. (1) DFT application to the structural determination of aqueous actinide species. Role of 5f electron to the An-O bond distance and to the selection of monodentate/bidentate will be discussed. (2) Calculation of redox potential of An(VI)/ An(V) for An=U, Np, Pu, Am. (3) Uranyl(VI) luminescence and photochemistry. The mechanisms of uranyl(VI) luminescence quenching and photochemical reduction of uranyl(VI) complexes will be discussed.
Involved research facilities
- Rossendorf Beamline at ESRF DOI: 10.1107/S1600577520014265
Related publications
- DOI: 10.1107/S1600577520014265 is cited by this (Id 15274) publication
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Invited lecture (Conferences)
Tokai Research and Development Center of the Japan Atomic Energy Agency (JAEA), 09.03.2011, Tokai, Japan
Permalink: https://www.hzdr.de/publications/Publ-15274