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
1Laboratoire 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; 2Laboratoire 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+
* Plenary lecture presented at the 27th International
Conference on Solution Chemistry, Vaals, The Netherlands, 26-31 August
2001. Other presentations are published in this issue, pp. 1679-1748.
* Corresponding author.
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