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Insights into the solution structure of the hydrated uranyl ion from neutron scattering and EXAFS experiments
Dalton Transactions ( IF 3.5 ) Pub Date : 2022-08-22 , DOI: 10.1039/d2dt02535c Samuel J Edwards 1 , Daniel T Bowron 2 , Robert J Baker 1
Dalton Transactions ( IF 3.5 ) Pub Date : 2022-08-22 , DOI: 10.1039/d2dt02535c Samuel J Edwards 1 , Daniel T Bowron 2 , Robert J Baker 1
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The solution structure of 1.0 M Uranyl Chloride has been determined by the EPSR modelling of a combination of neutron scattering and EXAFS data. The experimental data show an equilibrium in solution between [UO2(H2O)5]2+ and [UO2Cl(H2O)4]+ with a stability constant of 0.23 ± 0.03 mol−1 dm−3. A much smaller fraction of the neutral [UO2Cl2(H2O)3] ion is also observed. The data also show, for the first time in solution, that the uranyl ion is a very poor hydrogen bond acceptor, but the coordinated waters show enhanced hydrogen bond ability compared to the bulk water.
中文翻译：
从中子散射和 EXAFS 实验中了解水合铀酰离子的溶液结构
1.0 M Uranyl Chloride 的溶液结构由EPSR 模型确定，该模型结合了中子散射和EXAFS 数据。实验数据显示[UO 2 (H 2 O) 5 ] 2+和[UO 2 Cl(H 2 O) 4 ] +之间的溶液平衡，稳定常数为0.23±0.03 mol -1 dm -3。小得多的中性 [UO 2 Cl 2 (H 2 O) 3] 离子也被观察到。数据还首次在溶液中显示铀酰离子是一种非常差的氢键受体，但与本体水相比，配位水显示出增强的氢键能力。
更新日期：2022-08-24
中文翻译：
从中子散射和 EXAFS 实验中了解水合铀酰离子的溶液结构
1.0 M Uranyl Chloride 的溶液结构由EPSR 模型确定，该模型结合了中子散射和EXAFS 数据。实验数据显示[UO 2 (H 2 O) 5 ] 2+和[UO 2 Cl(H 2 O) 4 ] +之间的溶液平衡，稳定常数为0.23±0.03 mol -1 dm -3。小得多的中性 [UO 2 Cl 2 (H 2 O) 3] 离子也被观察到。数据还首次在溶液中显示铀酰离子是一种非常差的氢键受体，但与本体水相比，配位水显示出增强的氢键能力。
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