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Actinyl-Carboxylate Complexes [AnO₂(COOH) _n (H₂O) _m ]^2-n (An = U, Np, Pu, and Am; n = 1-3; m = 0, 2, 4; 2n + m = 6): Electronic Structures, Interaction Features, and the Potential to Adsorbents toward Cs Ion.

ABSTRACT: Organic compounds of actinyls and their bonding features have attracted extensive attention in nuclear waste separation due to their characteristics of separating fission products. Herein, detailed studies on the binding sites of [AnO₂(COOH) _n (H₂O) _m ]^2-n (An = U, Np, Pu, and Am; n = 1-3; m = 0, 2, 4; 2n + m = 6) complexes toward Cs are predicted by calculation, and their electronic excitation characteristics were illustrated, providing theoretical supports for the design of Cs adsorbents. The quantum theory of atom in molecules and electron localization function have been implemented to analyze the chemical bonding characterization. The covalent character of An-O_C bonds beco

SUBMITTER: Li P

PROVIDER: S-EPMC7745421 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Dataset Information

Actinyl-Carboxylate Complexes [AnO₂(COOH) _n (H₂O) _m ]^2-n (An = U, Np, Pu, and Am; n = 1-3; m = 0, 2, 4; 2n + m = 6): Electronic Structures, Interaction Features, and the Potential to Adsorbents toward Cs Ion.

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Actinyl-Carboxylate Complexes [AnO2(COOH) n (H2O) m ]2-n (An = U, Np, Pu, and Am; n = 1-3; m = 0, 2, 4; 2n + m = 6): Electronic Structures, Interaction Features, and the Potential to Adsorbents toward Cs Ion.

OmicsDI is part of the ELIXIR infrastructure

Tweets

Actinyl-Carboxylate Complexes [AnO₂(COOH) _n (H₂O) _m ]^2-n (An = U, Np, Pu, and Am; n = 1-3; m = 0, 2, 4; 2n + m = 6): Electronic Structures, Interaction Features, and the Potential to Adsorbents toward Cs Ion.