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À propos de : Aromatic C−H...O Interactions in a Series of Bindone Analogues.NMR and Quantum Mechanical Study        

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  • Aromatic C−H...O Interactions in a Series of Bindone Analogues.NMR and Quantum Mechanical Study
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  • The aromatic C−H···O hydrogen bonding within the series of the structurally relative indenonederivatives has been studied. The presence of the hydrogen bonds is corroborated by the largelow-field chemical shifts of the protons involved in the hydrogen bond observed experimentallyand reproduced by quantum mechanical calculations. Further confirmation is provided by analysisof the orbital overlap coefficients, 13C NMR chemical shifts, and one-bond spin−spin couplingconstants J(13C−1H). The relationship between molecular geometry and 1H NMR chemical shiftsof involved protons has a complex nature, but the C−H···O distance is the principal factor.
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