Chapter 15: 77Se Nuclear Magnetic Resonance: Experiments and In Silico Approaches
Published:15 Feb 2023
M. S. Silva and L. Orian, in Chalcogen Chemistry: Fundamentals and Applications, ed. V. Lippolis, C. Santi, E. J. Lenardão, and A. L. Braga, The Royal Society of Chemistry, 2023, ch. 15, pp. 419-434.
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77Se NMR signals are very sensitive to the chemical environment of the selenium atom. This explains the successful application of this spectroscopic technique in the numerous fields in which this chalcogen is involved, including organic catalysis and protein chemistry. The combination of the experiment with computational protocols is nowadays possible and provides important insight into the structural and mechanistic aspects of the studied systems. The basic fundamentals of 77Se NMR are presented here together with selected recent experimental as well as theoretical examples, highlighting advances and yet unsolved issues.