The conformation of 4-acetylpyridine determined from proton and deuterium nuclear magnetic resonance spectra of a nematic phase

Abstract
Proton and proton–{deuterium} spectra of 4-[2H3]acetylpyridine have been recorded on nematic solutions and analysed to yield dipolar coupling constants, Dij. The deuterium spectrum yields the quardrupole splitting, Δν, which together with the Dij values was used to predict all the dipolar couplings in the spectrum of the fully protonated compound. This procedure enabled an analysis of the complex proton spectrum of 4-acetylpyridine in the same nematic solutions. It is demonstrated that the data from analysis of either the CD3 labelled, or from the fully protonated compound can be used to investigate the structure of the pyridine ring and the conformational preference of the acetyl group.

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