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Oxygen-17 and selenium-77 nuclear magnetic resonance of carbonyl and selenocarbonyl compounds. Correlation of oxygen-17 and selenium-77 chemical shifts
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1983
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Selenocarbonyl CompoundsBiochemistryBond Order TermsNatural SciencesSelenium DeficiencyChemical BondChemical ShiftsStructure ElucidationOrganic ChemistrySelenium-77 Chemical ShiftsChemistryQuantum ChemistryMolecular ChemistryMedicineRedox BiologyDeoxygenationSpectra-structure CorrelationOxidative Stress
The 77Se, 17O, and 13C n.m.r. spectra of some carbonyl and selenocarbonyl compounds were studied. The 77Se chemical shifts are found to be dominated by the local paramagnetic screening term. δ(77O), δ(77Se), and 1J(77Se–13C) are shown to be affected by the ring size of the molecules. δ(77Se) and δ(17O) of corresponding compounds show excellent correlation and a comparison of them indicates that the bond order terms of CSe and CO, as well as their trends of variation, are practically identical.