Proton Electric Dipole Moment Research Articles

Relationship between proton shielding constants and electric dipole moments in the hydrogen halides

The proton shielding constants of the hydrogen halides have been calculated employing a molecular wave function built from gauge-invariant atomic orbitals. Each of the molecular wave functions contains a single parameter which is determined from the observed dipole moment. Calculated and experimental values of the shielding constants for HF, HCl, HBr and HI agree to within approximately 10 per cent.