Abstract
1H NMR and 13C NMR of methyl-2,4-dimethoxysalicylate 2 was measured in chloroform-d at the temperature range of 220–330 K, in dimethyl sulfoxide-d 6 at the temperature range of 300–400 K and in a polar protic solvent (CD 3OD) at 300 K. The structure of 2 in liquid phase (solvent) is compared with those in solid phase (X-ray) and in the gas phase (quantum mechanical calculations). The relationship between molecular geometry, 1H NMR chemical shift and W coupling of involved protons has a complex nature, but hydrogen bonds [C O⋯H–O and C O⋯H–CH 2O] strength is the principle factor.
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Schedule a callMore From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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