Electron transfer and spin-orbit coupling: Can nuclear motion lead to spin selective rates?

Suraj S. Chandran; Yanze Wu; Hung Hsuan Teh; David H. Waldeck; Joseph E. Subotnik

doi:10.1063/5.0086554

Electron transfer and spin-orbit coupling: Can nuclear motion lead to spin selective rates?

Suraj S. Chandran, Yanze Wu, Hung Hsuan Teh, David H. Waldeck, Joseph E. Subotnik

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, eiWx. We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model, all equilibrium results are completely invariant to the sign of W (to infinite order). However, the nonequilibrium results do depend on the sign of W, suggesting that photo-induced electron transfer dynamics with spin-orbit coupling can exhibit electronic spin polarization (at least for some time).

Original language	English (US)
Article number	174113
Journal	Journal of Chemical Physics
Volume	156
Issue number	17
DOIs	https://doi.org/10.1063/5.0086554
State	Published - May 7 2022
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/5.0086554

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abstract = "We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, eiWx. We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model, all equilibrium results are completely invariant to the sign of W (to infinite order). However, the nonequilibrium results do depend on the sign of W, suggesting that photo-induced electron transfer dynamics with spin-orbit coupling can exhibit electronic spin polarization (at least for some time).",

author = "Chandran, {Suraj S.} and Yanze Wu and Teh, {Hung Hsuan} and Waldeck, {David H.} and Subotnik, {Joseph E.}",

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AU - Chandran, Suraj S.

AU - Wu, Yanze

AU - Teh, Hung Hsuan

AU - Waldeck, David H.

AU - Subotnik, Joseph E.

PY - 2022/5/7

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AB - We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, eiWx. We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model, all equilibrium results are completely invariant to the sign of W (to infinite order). However, the nonequilibrium results do depend on the sign of W, suggesting that photo-induced electron transfer dynamics with spin-orbit coupling can exhibit electronic spin polarization (at least for some time).

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Electron transfer and spin-orbit coupling: Can nuclear motion lead to spin selective rates?

Abstract

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