title: Geometric hydration shells for anionic platinum group metal chloro complexes.
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.
authors.affiliation: Departments of Chemistry, University of Cape Town, Rondebosch 7701, South Africa. knaidoo@science.uct.ac.za
authors.forename: Kevin J
authors.initials: KJ
authors.lastname: Naidoo
authors.forename: Günter
authors.initials: G
authors.lastname: Klatt
authors.forename: Klaus R
authors.initials: KR
authors.lastname: Koch
authors.forename: David J
authors.initials: DJ
authors.lastname: Robinson