Torus mathematical model is proposed to calculate the vicinal constant couplings (3JHH), with their corresponding torsional angles (θwn), from the difference in chemical shifts between two protons (ΔδHH) and two atoms of carbons (ΔδCC) (I). Six possible values of the external torsional angles, with cis-ae, cis-ea, trans-ee and trans-aa stereochemistry, represented into the 180-three-concentric cones, relative to vicinal constant couplings, are calculated with the third and fourth torus characteristics circles. Values of the calculated vicinal constant couplings 3JHH = f(Φ) = f(Φ1/2, Φ2), comparable with recorded vicinal constant couplings of the iminocyclitols 1, 2, are proved for accurate values of the external torsional angles, θWn, ΦWn.

Torus circles on relationships between vicinal constant couplings 3JHH and torsional angles θHnHn+1

2019 Spring National Meeting

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