Geometric hydration shells for anionic platinum group metal chloro complexes |
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Authors: | Naidoo Kevin J Klatt Günter Koch Klaus R Robinson David J |
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Institution: | Departments of Chemistry, University of Cape Town, Rondebosch 7701, South Africa. knaidoo@science.uct.ac.za |
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Abstract: | Solvation shells surrounding complex inorganic anions have not been extensively studied and are often mentioned with an amorphous picture in mind. We use a computational model previously validated against experimental results and ab initio quantum calculations (Lienke, A.; Klatt, G.; Robinson, D.; Koch, K. R.; Naidoo, K. J. Inorg.Chem. 2001, 40, 2352-2357) to investigate the nature of the hydration shells about simple platinum group metal chloro complexes (PtCl(6)](2-), RhCl(6)](3-), PtCl(4)](2-), and PdCl(4)](2-)). Our simulations show that the hydration shells surrounding these complexes are symmetric and take on familiar geometric forms. We find that only the RhCl(6)](3-) complex has a clearly defined second hydration shell while the PtCl(6)](2-), PtCl(4)](2-), and PdCl(4)](2-) second hydration shells are more diffuse. |
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