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- W1991385989 abstract "The bond distances and coordination numbers of the predominant Np(VII) complex in strongly alkaline solution have been determined using EXAFS transmission measurements. The stoichiometry and structure of NpO4(OH)23- has been deduced by combining these data with different structure models, mostly determined by using DFT based methods. The experimental and theory based distance Np(VII)−Ooxo is 1.894 and 1.90 Å, respectively, whereas the Np(VII)−OH- distance is 2.326 and 2.33 Å, respectively. Theory based geometry and bond distances have been obtained also for other Np(VII) and Np(VI) complexes, NpO2(OH)4-, NpO4-, NpO4(OH)24-, and NpO2(OH)42-, NpO42-. The “NpO6” − unit has a square bipyramidal geometry both in NpO4(OH)23-/4- and in NpO2(OH)41-/2-, albeit with some difference in bond distances. The close similarity in structure indicates that no major rearrangements are necessary on electron transfer between Np(VI) and Np(VII), a possible explanation for the stable and reproducible Np(VII)/Np(VI) redox potential observed in alkaline solution. The structure data indicate that new Np(VII) species may be identified by oxidation of Np(VI) solutions at lower hydroxide concentrations." @default.
- W1991385989 created "2016-06-24" @default.
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- W1991385989 date "2001-12-01" @default.
- W1991385989 modified "2023-10-01" @default.
- W1991385989 title "On the Structure of Np(VI) and Np(VII) Species in Alkaline Solution Studied by EXAFS and Quantum Chemical Methods" @default.
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- W1991385989 doi "https://doi.org/10.1021/jp0114283" @default.
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