Nuclear magnetic resonance study of the association between adamantanone and the shift reagent Eu(fod)3
Abstract
The association of Eu(fod)3(L) to adamantanone (S) in CDCl3 was studied by 1H n.m.r. spectroscopy. From the concentration dependence of the induced shifts the bound shifts were obtained by an optimization procedure and a gradient method. The equilibrium constants for the formation of complexes LS, LS2, and LS3 were calculated. The best fit was found for the two-step association LS,LS2 with association constants K11 63 dm3 mol–1 and K12 514 dm3 mol–1. The position of europium in the complex adduct was studied by one- and four-site binding models and both results were statistically compared.