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Charge distributions and chemical effects. XXVI. Relationships between nuclear magnetic resonance shifts and atomic charges for <sup>17</sup>O nuclei in ethers and carbonyl compounds
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1982
Year
Nuclear PhysicsProton-coupled Electron TransferMagnetic ResonanceChemical EffectsChemistrySpectra-structure CorrelationCharge DistributionsNuclear Quadrupole ResonanceElectron Paramagnetic ResonanceElectron PopulationsPhysicsAtomic PhysicsDownfield Nmr ShiftQuantum ChemistryNatural SciencesProton TransferDynamic Nuclear PolarizationAtomic ChargesOxygen Atom
The 17 O nuclear magnetic resonance shifts of dialkylethers are linearly related to the electron populations on the oxygen atoms, in a range covering L ~ 130 ppm, showing that any increase of electronic charge at the oxygen atom is accompanied by a downfield nmr shift. The opposite trend is observed for the oxygen atoms of ketones and aldehydes.