Contact ion pair between Na+ and PtCl(6)(2-) favored in methanol

Kevin J Naidoo; Anton S Lopis; Arjan N Westra; David J Robinson; Klaus R Koch

doi:10.1021/ja035326x

Contact ion pair between Na+ and PtCl(6)(2-) favored in methanol

J Am Chem Soc. 2003 Nov 5;125(44):13330-1. doi: 10.1021/ja035326x.

Authors

Kevin J Naidoo¹, Anton S Lopis, Arjan N Westra, David J Robinson, Klaus R Koch

Affiliation

¹ Department of Chemistry, University of Cape Town, Rondebosch, 7701, South Africa. knaidoo@science.uct.ac.za

PMID: 14583008
DOI: 10.1021/ja035326x

Abstract

Ion-pair formation between a Na+ cation and the [PtCl62-] anion in methanol is observed from195Pt NMR chemical shift trends as well as from molecular dynamics computer simulations. Free energy of association calculations reveal that contact ion pairs (CIPs) are the most favored configuration in methanol, followed by solvent shared ion pairs (SSHIPs). By contrast, such ion-pair formation is not observed for comparable solutions in water.