Uranyl Complexation by Monodentate Nitrogen Donor Ligands. A Relativistic Density Functional Study

Zakharieva, O.; Kremleva, A.; Kruger, S.; Rosch, N.

doi:10.1002/qua.22483

Titel:: Uranyl Complexation by Monodentate Nitrogen Donor Ligands. A Relativistic Density Functional Study
Dokumenttyp:: Journal Article
Autor(en):: Zakharieva, O.; Kremleva, A.; Kruger, S.; Rosch, N.
Abstract:: To examine the interaction of uranyl with nitrogen containing groups of humic substances, the model complexes [UO(2)(H(2)O)(4)L(N)](2+), L(N) = NH(2)CH(3), N(CH(3))(3), and NC(5)H(5) in aqueous solution were studied computationally with an all-electron relativistic density functional method. Results are compared with the corresponding penta-aqua complex of uranyl. Although pyridine coordinates with about the same strength as
Kongresstitel:: ISI Document Delivery No.: 756DZ Times Cited: 0 Cited Reference Count: 47 Zakharieva, Olga Kremleva, Alena Krueger, Sven Roesch, Notker Kremleva, Alena/K-7309-2012 German Bundesministerium fur Wirtschaft und Technologie [02E9693, 02E10186]; Fonds der Chemischen Industrie Contract grant sponsor: The German Bundesministerium fur Wirtschaft und Technologie.Contract grant numbers: 02E9693, 02E10186.Contract grant sponsor: Fonds der Chemischen Industrie. 0 Wiley-blackwell Malden
Zeitschriftentitel:: International Journal of Quantum Chemistry
Jahr:: 2011
Band / Volume:: 111
Heft / Issue:: 9
Seitenangaben Beitrag:: 2045-2053
Volltext / DOI:: doi:10.1002/qua.22483
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