Abstract
Calculations of nuclear magnetic shielding polarizabilities of the P-hexahelicene and 8,9-difluoro-P-hexahelicene molecules have been accomplished at the CTOCD-DZ2/6-31G(d,p) level. Pseudoscalars of the nuclear magnetic shielding polarizability are the largest reported so far for second-row atoms. The rf voltage generated by the rotating chiral electric polarization, induced by the permanent magnetic dipole moment of the (19)F nuclei of the 8,9-difluoro-P-hexahelicene and by the spectrometer's magnetic field, is predicted to be ≈10 nV, that is, detectable with modern equipments.
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