Publication details

Can we interpret NMR spectra of paramagnetic systems? Some hints for Ru(III) complexes

Authors

MAREK Radek

Year of publication 2016
MU Faculty or unit

Central European Institute of Technology

Citation
Description Temperature-dependent 1H and 13C NMR experiments are used to decompose the total experimental NMR chemical shifts to the orbital (temperature-independent) and paramagnetic (temperature-dependent) contributions using Curie plots (chemical shift as a function of 1/T). Relativistic DFT calculations are demonstrated to be a powerful tool for interpreting the paramagnetic 1H and 13C NMR spectra of potential ruthenium-based metallodrugs (derived from NAMI) in the frame of chemical-bonding concepts.
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