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Figure 3 | Chemistry Central Journal

Figure 3

From: Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

Figure 3

Uranyl-phosphate aqueous models for (a) UO 2 (PO 4 )-(OH 2 ) 4 •30(H 2 O) (UO 2 PO 4 ; bidentate) and (b) UO 2 (HPO 4 ) 2 2-(OH 2 ) 2 •33(H 2 O) (UO 2 (HPO 4 ) 2 ) both show bidentate bonding between [PO 4 ]3- and [HPO 4 ]2-, but the diphosphate species also contains a monodentate [HPO 4 ]2- group that predicts a U---P distance in better agreement with EXAFS data for uranyl-phosphate complexation.

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BMC Chemistry

ISSN: 2661-801X

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