Theories of structural and dynamic properties of ions in discrete solvents. Application to magnetic resonance imaging

Fries, Pascal H.; Richardi, Johannes; Rast, Sebastian; Belorizky, Elie

doi:10.1351/pac200173111689

Pure Appl. Chem., 2001, Vol. 73, No. 11, pp. 1689-1703

http://dx.doi.org/10.1351/pac200173111689

Theories of structural and dynamic properties of ions in discrete solvents. Application to magnetic resonance imaging

Pascal H. Fries¹*, Johannes Richardi¹, Sebastian Rast¹ and Elie Belorizky²

¹ Laboratoire de Reconnaissance Ionique, Service de Chimie Inorganique et Biologique (UMR 5046), Département de Recherche Fondamentale sur la Matière Condensée, CEA-Grenoble, 17, rue des Martyrs, F-38054, Grenoble Cedex 9, France
² Laboratoire de Spectrométrie Physique, CNRS-UMR 5588, Université Joseph Fourier, B.P. 87, F-38402, St Martin d'Hères Cedex, France

Abstract: The molecular OrnsteinZernike (MOZ) formalism used to compute the structure of a liquid solution is briefly presented. Its ability to describe the equilibrium properties of aprotic solvents and of their electrolyte solutions is demonstrated from selected examples. The potential of mean force and the relative motion of ions in water are studied by the powerful method of intermolecular nuclear magnetic relaxation dispersion (NMRD) in paramagnetic solutions. The interest of the ionion dynamics in medical magnetic resonance imaging (MRI) is shown by a typical NMRD study involving paramagnetic gadolinium Gd3+ complexes.