Magnetic interaction between an electron and a nucleus
The Fermi contact interaction is the magnetic interaction between an electron and an atomic nucleus . Its major manifestation is in electron paramagnetic resonance and nuclear magnetic resonance spectroscopies, where it is responsible for the appearance of isotropic hyperfine coupling .
This requires that the electron occupy an s-orbital. The interaction is described with the parameter A , which takes the units megahertz. The magnitude of A is given by this relationships
A
=
−
8
3
π
⟨
μ
n
⋅
μ
e
⟩
|
Ψ
(
0
)
|
2
(cgs)
{\displaystyle A=-{\frac {8}{3}}\pi \left\langle {\boldsymbol {\mu }}_{n}\cdot {\boldsymbol {\mu }}_{e}\right\rangle |\Psi (0)|^{2}\qquad {\mbox{(cgs)}}}
and
A
=
−
2
3
μ
0
⟨
μ
n
⋅
μ
e
⟩
|
Ψ
(
0
)
|
2
,
(SI)
{\displaystyle A=-{\frac {2}{3}}\mu _{0}\left\langle {\boldsymbol {\mu }}_{n}\cdot {\boldsymbol {\mu }}_{e}\right\rangle |\Psi (0)|^{2},\qquad {\mbox{(SI)}}}
where A is the energy of the interaction, μ n is the nuclear magnetic moment , μ e is the electron magnetic dipole moment , Ψ(0) is the value of the electron wavefunction at the nucleus, and
⟨
⋯
⟩
{\textstyle \left\langle \cdots \right\rangle }
denotes the quantum mechanical spin coupling.[ 1]
It has been pointed out that it is an ill-defined problem because the standard formulation assumes that the nucleus has a magnetic dipolar moment, which is not always the case.[ 2]
Simplified view of the Fermi contact interaction in the terms of nuclear (green arrow) and electron spins (blue arrow). 1 : in H2 , 1 H spin polarizes electron spin antiparallel. This in turn polarizes the other electron of the σ-bond antiparallel as demanded by Pauli's exclusion principle . Electron polarizes the other 1 H. 1 H nuclei are antiparallel and 1 JHH has a positive value.[ 3] 2 : 1 H nuclei are parallel. This form is unstable (has higher energy E) than the form 1.[ 4] 3 : vicinal 1 H J-coupling via 12 C or 13 C nuclei. Same as before, but electron spins on p-orbitals are parallel due to Hund's 1. rule . 1 H nuclei are antiparallel and 3 JHH has a positive value.[ 3]