Fig. 5: CEL maps of selected glycosyl cations in which the local minima identified are shown with their respective energy42. | Nature Communications

Fig. 5: CEL maps of selected glycosyl cations in which the local minima identified are shown with their respective energy42.

From: Characterization of glycosyl dioxolenium ions and their role in glycosylation reactions

Fig. 5

Two acetyl ester rotamers (R1 and R2) were considered for all computed glycosyl cations generating two sperate CEL maps. All energies are as computed at PCM(CH2Cl2)-B3LYP/6-311G(d,p) at 213.15 K and expressed as solution-phase Gibbs free energy. CEL maps for C3-acetyl pyranosyl ions (a–c), C4-acetyl pyranosyl ions (d–f), C6-acetyl pyranosyl ions (g–i). j Table summarizing the relative energy of the dioxolenium and oxocarbenium ion conformers in the gas- and solution-phase.

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