Parameters for the calculation of the ring current and atomic magnetic anisotropy contributions to magnetic shielding constants: Nucleic acid bases and intercalating agents

The values of the non-zero elements of the diamagnetic and paramagnetic parts of the atomic magnetic susceptibility tensors are reported for nucleic acid bases and for the conjugated parts of some intercalating agents. These quantities are necessary for the computation of the contribution of the local magnetic anisotropy to the intermolecular shielding which is produced by this type of molecule. The intensities of the ring currents as well as the radii of the conjugated rings are reported for these compounds so that the contribution of the magnetic anisotropy of these molecules to the chemical shift of any nucleus located at any point in space may be computed in an NMR study.