Evaluation of limiting-induced shifts of disubstituted adamantane derivatives on the basis of shift additivity

A quantitative interpretation of ¹H NMR spectra of symmetrically disubstituted adamantane derivatives (2,4-adamantanedione, 2,6-adamantanedione and 2,4-adamantanetdiol) with shift reagents is reported. Assumptions are made of shift additivity and an average coordination of one molecule of the shift reagent to both functional groups. A much better fit between the experimental and the calculated set of limiting-induced shifts was obtained for calculations based on shift additivity.