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.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