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Figure 11 | Chemistry Central Journal

Figure 11

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

Figure 11

(a) The monodentate UO 2 -GlcNPO 4 complex has a calculated potential energy +70 kJ/mol higher than the corresponding (b) bidentate complex, but the former has interatomic distances in closer agreement with EXAFS data on uranyl adsorbed onto bacterial surfaces [47]. These two facts suggest that protonation of the phosphoryl group at low pH stabilizes the monodentate configuration and that the bidentate configuration should be more stable at circumneutral pH.

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