Enantiodifferentiation in protonation processes: A theoretical study

The conformational minima of a series of chiral ethers have been studied by means of DFT (B3LYP/6-31+G∗∗) and ab initio (MP2/6-311+G∗∗) methods. The protonation of these compounds results in diasteromeric systems depending on the protonated lone pair. The relative energy of the conformers has been analyzed using the QTAIM and NBO methods.