NMR-Based Structure Characterization

A reliable and efficient characterization of the constitution and configuration of chemical compounds is critical in essentially in all areas of catalysis research. NMR plays a crucial role not only in the structural determination of reaction products but also in revealing spectroscopic fingerprints of the catalysts themselves.  These spectroscopic identifications have proven essential to evaluate the performance, activity and selectivity of novel catalysts and to drive their further development. Indeed, NMR is routinely used for the characterization novel catalysts, in the evaluation of catalytic selectivities or for the rapid confirmation of each reaction product in a tedious multi-step natural product synthesis campaign.

The NMR@kofo department  has had a long tradition of providing independent and unbiased analysis of samples from all research groups over the last six decades. The department has specialized in the characterization of organometallic compounds, in assisting catalytic reaction scope evaluations as well as in the reliable confirmation of each product along novel natural product synthetic routes. Using state-of-the-art NMR methodologies and instrumentation, well over 100,000 compounds have been fully characterized over the years, delivering comprehensive multinuclear chemical shifts assignment along with scalar couplings and internuclear correlations. The technical know-how of our NMR staff in these areas rests on years of experience as well as on a vast in-house database.

Representative publications:

  1. A. G. Tskhovrebov, J. B. Lingnau, A. Furstner, Angew Chem Int Edit 2019, 58, 8834-8838.
    doi: http://doi.org/10.1002/anie.201903957

  2. Y. Kwon, S. Schulthoff, Q. M. Dao, C. Wirtz, A. Furstner, Chemistry-a European Journal 2018, 24, 109-114.
    doi: http://doi.org/10.1002/chem.201705550

  3. D. Hofler, R. Goddard, J. B. Lingnau, N. Nothling, B. List, Angew Chem Int Edit 2018, 57, 8326-8329.
    doi: http://doi.org/10.1002/anie.201803647

  4. F. Anderl, S. Grössl, C. Wirtz, A. Fürstner, Angew Chem Int Edit 2018, 57, 10712-10717.
    doi: http://doi.org/10.1002/anie.201805125

  5. C. G. Acevedo-Rocha, C. G. Gamble, R. Lonsdale, A. T. Li, N. Nett, S. Hoebenreich, J. B. Lingnau, C. Wirtz, C. Farès, H. Hinrichs, A. Deege, A. J. Mulholland, Y. Nov, D. Leys, K. J. McLean, A. W. Munro, M. T. Reetz, Acs Catal 2018, 8, 3395-3410.
    doi: http://doi.org/10.1021/acscatal.8b00389
  6. J. Preindl, S. Schulthoff, C. Wirtz, J. Lingnau, A. Furstner, Angew Chem Int Edit 2017, 56, 7525-7530.
    doi: http://doi.org/10.1002/anie.201702189
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