Achievements of our colleagues


Our colleague, S. Komorovský, is one of the authors of the work, which was published in the prestigious scientific journal Chemical Review published by the American Chemical Society. The review introduces tools and analysis as guidelines for NMR spectroscopists and computational chemists to estimate the ranges of the NMR shifts for an unknown compound, to identify intermediates in catalytic and other processes, to analyze conformational aspects and intermolecular interactions, and to predict trends in series of compounds throughout the Periodic Table. Using relativistic quantum theory, the authors discovered a fundamental principle for predicting of chemical shifts of light elements (H, C, N,…) directly bound to heavy atoms (e.g. Ir, Pt, Au, Hg,… ). Their work is a significant contribution to the understanding of heavy metal chemistry.

More information (SAS website)

Publication: Jan Vícha, Jan Novotný, Stanislav Komorovský, Michal Straka, Martin Kaupp, and Radek Marek, Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table. Chem. Rev. 2020, 120, 15, 7065–7103. Topic was selected as motive for issue cover.

Read article at ACS