Neutron Diffraction and Simulation Studies of CsNO3 and Cs2CO3 Solutions

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• 作者：Philip E. Mason ; George W. Neilson ; Christopher E. Dempsey ; John W. Brady
• 刊名：Journal of the American Chemical Society
• 出版年：2006
• 出版时间：November 29, 2006
• 年：2006
• 卷：128
• 期：47
• 页码：15136 - 15144
• 全文大小：683K
• 年卷期：v.128,no.47(November 29, 2006)
• ISSN：1520-5126

文摘

Neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD)simulations have been used to study the structuring in aqueous solution of two cesium salts, cesiumcarbonate, and cesium nitrate. As was previously found for guanidinium salts of carbonate, mesoscopic-scale clusters were seen to form in the Cs₂CO₃ solution both in the MD simulations and in the diffractionexperiments. No such large scale ion clusters were found in the CsNO₃ solutions in either the modeling orexperiments. The results are dominated by the strength and geometry of the direct first-neighbor interactions,which explain the differences in the clustering behavior between the two solutions without need to refer tolonger-range water-water structuring.