400 MHz solution NMR instrument

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We are applying for a high resolution solution NMR machine (at least 400 MHz) with independent 1H and 19F channels (observation and decoupling), with which as many as possible experiment combinations of the nuclei A{B} as well as A{B}{C} can be performed. In this context A represents the nuclei 1H, 2H, 13C, 15N, 19F, 31P and 195Pt, while for B and C the nuclei 1H and 19F are particularly important. In general, the machine should (within the limits of the funds available) be optimized to allow for as many as possible 2D-A/A- or A/B-experiment combinations to be performed at least for the nuclei 1H, 2H, 13C, 15N, 19F, 31P, where for B again the nuclei 1H or 19F are in the main focus. Deuterium is expected to not just serve as a lock signal but also to be an observable nucleus with little equipment effort. An easily manageable, stable low-temperature function down to at least -100 °C (more desirable: -120°C) is absolutely mandatory and should in the best case also be practicable for long-range measurements (e. g. over night). In the high-temperature range, measurements must be possible up to at least 150 °C. A sample changer is expected to allow for self-dependently doing standard experiments over night and over the weekend, and on this purpose should provide at least 24 sample positions. As a major focus, the machine will be used to examine the activation and fixation of small molecules such as methane by transition metal complexes in solution with the target, to describe and predict the type and strength of interaction by measurable control parameters supported by DFT calculations, so a rational optimization of the structure of adsorption materials for the storage as well as the molecular design of catalysts for the selective and efficient transformation in particular of methane (but also of other small molecules such as H2, N2, CO or CO2) will be possible. Also to accomplish the complete characterization of taylor-made ligands developed for MOF synthesis (again with the target to explore new materials for storage and catalysis on the basis of MOFs) the machine is essential for the applying scientists.