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. 2020 May 29;11:2664. doi: 10.1038/s41467-020-16362-x

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

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 (ac), C4-acetyl pyranosyl ions (df), C6-acetyl pyranosyl ions (gi). j Table summarizing the relative energy of the dioxolenium and oxocarbenium ion conformers in the gas- and solution-phase.