Chalcogen Chemistry: Fundamentals and Applications
Chapter 15: 77Se Nuclear Magnetic Resonance: Experiments and In Silico Approaches
Published:15 Feb 2023
Márcio Santos Silva, Laura Orian, 2023. "77Se Nuclear Magnetic Resonance: Experiments and In Silico Approaches", Chalcogen Chemistry: Fundamentals and Applications, Vito Lippolis, Claudio Santi, Eder J. Lenardão, Antonio L. Braga
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The importance of 77Se Nuclear Magnetic Resonance (NMR) is directly connected to the eminent role of this chalcogen atom in different fields, from inorganic chemistry1 and materials science2 to organic catalysis,3 bioorganic and pharmaceutical chemistry,4 to biology5 and the biomedical field.6 The first experiments, to the best of our knowledge, date back to the 50s, when Dharmatti and Weaver7 reported the sign and magnitude of the selenium magnetic moment using a concentrated sample of selenous acid referring to 23Na, and Walchli measured the chemical shifts of H2Se, H2SeO2, and H2SeO4 referring to D2O.8 77Se NMR is considered a powerful tool to gain direct information on selenium states in reactions and in mechanistic studies.9 In fact, its wide chemical shift range (over 6000 ppm) allows a fine resolution of different chemical sites. The major drawbacks are the low natural abundance (approximately 7.6%), and the low NMR sensitivity.