P. Lazzeretti et al., ELECTRONIC CURRENT-DENSITY INDUCED BY NUCLEAR MAGNETIC DIPOLES, Journal of molecular structure. Theochem, 119(3), 1994, pp. 299-304
Magnetic point-group symmetries of high order in molecules can be desc
ribed via the electronic current density vector field induced by a set
of ideal magnetic dipoles properly placed in space. The expression fo
r the diamagnetic Larmor-type current density induced in the electrons
of a molecule by intrinsic nuclear magnetic dipole moments can be obt
ained via classical electrodynamics, but quantum mechanics is necessar
y to account for other terms: the Ramsey relations for paramagnetic sp
in-orbit, spin-dipolar, Fermi contact, and cross Fermi contact/spin-di
polar contributions to (indirect) spin-spin nuclear magnetic coupling
can be rewritten in terms of second-rank current density tensors. Maps
of current densities induced by two nuclear dipoles could be used to
visualize the electron coupled interaction between two nuclei and to r
ationalize the coupling mechanism.