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
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.