Diamagnetic spin orbit

According to NMR theory [30], contributions to spin-spin coupling come from paramagnetic spin-orbital (PSO), diamagnetic spin-orbital (DSO), Fermi contact (FC), and spin-dipolar (SD) interactions [30] ... 

The diamagnetic spin-orbital (DSO) contribution to the spin-spin coupling constants is usually small, but nonnegligible, especially for the proton-proton coupling constants. 

As mentioned above there are four main contributions to the nuclear spin-spin coupling constants the Fermi contact (FC), the paramagnetic spin-orbit (PSO), the spin-dipolar (SD) and the diamagnetic spin-orbit (DSO) contributions. The Fermi contact term is usually the most important of these and also the most sensitive to geometry changes [8]. The Fermi contact contribution arises from the interactions between the terms containing S(riM) and < (riN) in the operators Hon for nuclei N and M (see Eqn. (12)). 

The V2AA term in eq. (10.68) gives a Diamagnetic Spin-Orbit operator, which is an operator of order c. Although we otherwise only consider terms up to order c, the nuclear spin-spin coupling constant only contains terms of order c, which is why we need to include... 

Recalling that A x (B x C) = B (A C) — C [A B) this term (called the diamagnetic spin-orbit contribution, DSCf ) reads as... 

As to the integrals involved, the Fermi contact contribution (just the value of the wave function at the nucleus position) is the easiest to compute. Assuming that states are Slater determinants, the diamagnetic spin-orbit contribution... 

Ramsey theory (p. 666) diamagnetic effect (p. 668) paramagnetic effect (p. 668) coupling constant (p. 668) direct spin-spin interaction (p. 669) diamagnetic spin-orbit contribution (p. 669) paramagnetic spin-orbit (p. 670) spin-dipole contribution (p. 670)... 

Calculation of nuclear spin-spin coupling constants have begun to appear recently.[101-118] There are four terms which contribute diamagnetic spin-orbit, paramagnetic spin-orbital, spin-dipole, and Fermi contact terms. Often, the Fermi contact term dominates the coupling interaction and several workers have calculated J( B- H) and V( C- H) values at the B3LYP level... 

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