Fig. 4.

Variation of trans-O-glycoside ³J_HCOC values (corrected) with dihedral angle ϕ, computed by DFT for four β-[1→4]-linked disaccharide mimics. The dashed line is a plot of the Karplus equation (Eq. (36)) defined experimentally by Tvaroška et al.,⁸¹ and the solid line is the computed relationship (Eq. (39)), where ■ represents ³J_H-4′,C-1 data, and ○ is ³J_H-1,C-4′ data.⁸⁴