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Spin-orbit coupling through-space

Figure 4.25. Sum-over-atoms factor in the spin-orbit coupling vector // a) in orthogonally twisted ethylene and b) in (0, 90°) twisted trimethylene biradical, using Equation (4.12) and (4.13) most localized orbitals x - Xh and nonvanishing atomic vectorial contributions from Xh (white through-space, black through-bond). Figure 4.25. Sum-over-atoms factor in the spin-orbit coupling vector // a) in orthogonally twisted ethylene and b) in (0, 90°) twisted trimethylene biradical, using Equation (4.12) and (4.13) most localized orbitals x - Xh and nonvanishing atomic vectorial contributions from Xh (white through-space, black through-bond).
The magnitude of the total spin-orbit coupling strength can change dramatically as a function of biradical conformation (Carlacci et al., 1987). The through-space part can be roughly approximated by... [Pg.227]

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Couplings spacing

Orbit coupling

Orbit space

Orbital space

Spin-orbit coupling

Spin-orbital coupling

Spin-space

Through-space

Through-space coupling

Through-space spin coupling

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