NMR spectroscopy allows for a facile, nondestructive access to the determination of constitution, configuration and conformation of molecules in solution as well as in solid state and represents the most prominent method for structure elucidation of organic compounds. Besides the structure determination one can easily address dynamic process in a wide range of time constants from to microsecond to the seconds range.

In order to understand the formation of complexes on a molecular level, a deeper insight into the electronic configuration of partitioning relevant ligands is necessary. Therefore appropriate sensors inside the molecule have to be identified, reporting of the changes in the electronic structure when complex formation occurs. As NMR spectroscopy finally measures the electronic surrounding of the nuclei under investigation, it is very well suited to give the necessary answers. Measurements of the relaxation properties as well as diffusion-ordered spectroscopy allow for determining different parameters of the complex formation process and the final size of the complex.

The influence on NMR-active nuclei is restricted on a radius of approximately 10 A through space and only a view bonds in a molecule. Therefore NMR spectroscopy is ideally suited to investigate amorphous systems. Experiments on glasses as well as on colloidal systems formed under repository relevant conditions allow for addressing questions of retardation or mobilization of actinides in those systems. For those measurements a variety of NMR-active isotopes, like ⁷¹Ga, ²⁷Al, ¹¹B, ³³S, ¹⁷O, ²⁹Si, ⁹⁵Mo are under investigation in solutions as well as in solid state.

The NMR instrumentation at KIT-INE is installed in the controlled area. Together with suitable security measures investigations on radioactive samples in solution are possible. Therefore, the NMR instrumentation at KIT-INE is one of the few spectrometers in the world where it is possible to perform experiments on systems in the field of repository and security research of high level nuclear waste disposal.

Contact:

N.N.