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Spin Dynamics

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Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry

Part of the book series: Springer Theses ((Springer Theses))

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Abstract

In photochemistry absorption of a photon gives a single radical pair (known as a G-pair) whose spins are correlated. However, in radiation chemistry the situation becomes much more complicated. A spur results from a single ionisation event in which both the energy and momentum is transferred from a high energy electron (or from other types of radiation) to an electron on the absorbing medium.

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Notes

  1. 1.

    The amount of mixing between these states can be calculated using second order perturbation theory.

  2. 2.

    Valid for this chemical system because anisotropic contributions are averaged by the rapid molecular tumbling.

  3. 3.

    The nuclear configuration has been restricted to the \(|+\rangle \) spin state for simplicity.

  4. 4.

    In the interaction representation the operator \(\hat{A}_{I}\) can be expressed in terms of the Schr\(\ddot{\text {o}}\)dinger representation (\(\hat{A}\)) as \(\hat{A}_{I}(t) = U\hat{A}(t)U^{-1}\).

  5. 5.

    Assuming \(J < 0\) where the doublet states are lower in energy than the quartet states.

  6. 6.

    It is assumed that the nuclear gyromagnetic ratio \(\gamma _{\text {p}} < 0.\)

  7. 7.

    Nucleus \(p\) and \(i\) are located on the same radical, but nucleus \(k\) is on the other radical.

  8. 8.

    Subscript R is used to denote the spin on R\(^{\cdot }\).

  9. 9.

    Assuming the \(T_{\pm 1}\) states to be inaccessible.

  10. 10.

    In the semiclassical approximation the electron spin on each radical is treated quantum mechanically, whilst the nuclear spins are treated classically. The unpaired electron precesses about the static field and the resultant of the nuclear spins.

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  1. Reactor Chemistry and Materials, National Nuclear Laboratory, Oxon, UK

    Amit Agarwal

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  1. Amit Agarwal
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Agarwal, A. (2014). Spin Dynamics. In: Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-06272-3_3

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