ABSTRACT
Molecular dynamics has attracted the attention of researchers because it strongly affects the physical and chemical properties of various systems, from simple and complex molecules in solutions to materials in the solid state. Motions of molecules or molecular groups can affect the detected NMR parameters as a function of frequencies of motions and their character. Depending on the rate and type of intra-and intermolecular reorientations, they can change a number of observed resonances, their line widths and shapes, chemical shifts, spin-spin coupling constants, quadrupolar splitting, and dipolar couplings or relaxation times in solutions and the solid state. Therefore, all of these factors must be taken into account for quantitative analysis of molecular mobility by NMR spectroscopy in order to determine the types, frequencies, and activation energies of molecular reorientations.
