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

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.