The work group “Nuclear Magnetic Resonance (NMR) Spectroscopy” is concerned with structure elucidation of organic molecules and the analysis and characterization of complex mixtures at the atomic/molecular level. It is a powerful analytical supporting tool for the other work groups in the Division of Chemistry of Renewables. NMR spectroscopy can be done either with dissolved compounds (liquid state NMR) as well as with gel-like or solid compounds (solid state NMR) – both methods require different hardware equipment which is available in our group.
Liquid state NMR is performed on a 400 MHz magnet equipped with a dual broadband probe with z-gradients. By using state-of-the-art one- and multidimensional homo- and heteronuclear experiments, structure elucidation, conformational analysis or purity checks of synthesized products or isolated plant metabolites are performed as well as measurements of reaction kinetics and analysis of complex mixtures – such as natural and technical lignins, cellulose and polysaccharide degradation mixtures – and biorefinery fractions. According to demand, various other techniques such as measurements of heteronuclei other than 13C, experiments at variable temperatures, quantitative estimation of different functional groups, diffusion experiments and many more are performed in close collaboration with the other work groups.
On the other hand, many properties of materials are lost in solution or moreover some samples are simply not soluble in some solvent. For the characterization of these materials we have a second 400 MHz magnet equipped for solid state NMR. Gel-like samples, such as many polysaccharides, carbohydrates, lignin derivatives or aerogels, can be investigated with our hr-mas probe (high resolution magic angle spinning), whereas for solids and crystalline organic compounds all variants concerning cp-mas (cross polarization magic angle spinning) are placed at disposal.
Contact: Dr. Markus Bacher
Further information: www.chemie.boku.ac.at/en/wpf/arbeitsgruppen/nmr-spektroskopie-markus-bacher/