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RESEARCH PRODUCT
17O NMR and molecular mechanical studies of arylmethylenemalonaldehydes
Erkki KolehmainenVladimír Králsubject
Coupling constantTertiary amineCarbon-13 NMR satelliteStereochemistryChemical shiftInternal rotationEtherGeneral ChemistrySpectral lineCrystallographychemistry.chemical_compoundchemistryGeneral Materials ScienceSolvent effectsdescription
The 17O NMR spectra of six different arylmethylenemalonaldehydes were measured for various solvents and temperatures. The 17O NMR chemical shifts and line widths of the carbonyl oxygens of the malonaldehyde fragment show a clear variation in the series of monoaryl compounds studied. The differences between the 17O NMR chemical shifts of the formyl oxygens correlate well with two conformationally dependent 1H–1H and 1H–13C coupling constants for the same compounds. Molecular mechanical calculations were also performed in order to relate the present data with the conformational preferences of the malonaldehyde fragment of the arylmethylenemalonaldehydes.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1990-09-01 | Magnetic Resonance in Chemistry |