195Pt NMR and DFT computational methods as tools towards the understanding of speciation and hydration/solvation of [PtX6] 2- (X = Cl-, Br-) anions in solution

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dc.contributor.author Koch K.R.
dc.contributor.author Burger M.R.
dc.contributor.author Kramer J.
dc.contributor.author Westra A.N.
dc.date.accessioned 2011-05-15T15:59:06Z
dc.date.available 2011-05-15T15:59:06Z
dc.date.issued 2006
dc.identifier.citation Dalton Transactions
dc.identifier.citation 27
dc.identifier.issn 14779226
dc.identifier.other 10.1039/b605182k
dc.identifier.uri http://hdl.handle.net/10019.1/11006
dc.description.abstract 195Pt NMR together with DFT calculations and MD simulations, offer a powerful toolkit with which to probe the hydration shells of the [PtCl6]2- anions, which may lead to a more profound understanding of the solute-solvent interactions of such complexes. © The Royal Society of Chemistry 2006.
dc.subject Complexation
dc.subject Computational methods
dc.subject Computer simulation
dc.subject Nuclear magnetic resonance spectroscopy
dc.subject Probability density function
dc.subject Solutions
dc.subject Solvents
dc.subject MD simulations
dc.subject Powerful toolkit
dc.subject Solute-solvent interactions
dc.subject Platinum compounds
dc.title 195Pt NMR and DFT computational methods as tools towards the understanding of speciation and hydration/solvation of [PtX6] 2- (X = Cl-, Br-) anions in solution
dc.type Article
dc.description.version Article


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