Chiral discrimination via nuclear magnetic resonance spectroscopy

Calculations of nuclear magnetic shielding polarisabilities of cyclic C4H2X2 molecules, for X = O, S, Se and Te, have been carried out. Pseudoscalars of the nuclear magnetic shielding polarisability computed for the heavier nuclei are at least two orders of magnitude larger than those reported so far. Calculations of the rf voltage produced by the rotating chiral electric polarisation, induced by the permanent magnetic dipole moment of 77Se nucleus in 1,2-diselenin and 125Te nucleus in 1,2-ditellurin, are predicted to be &40 nV and &80 nV, respectively, detectable in principle with a proper experimental set-up. Also the chiral chemical shifts are evaluated and they are found near the experimental detection limit.