The origin of chirality induced spin selectivity in photo-induced electron transfer

Abstract

Here we propose a mechanism by which spin polarization can be generated dynamically in chiral molecular systems undergoing photo-induced electron transfer. The proposed mechanism explains how spin polarization emerges in systems where charge transport is dominated by incoherent hopping, mediated by spin orbit and electronic exchange couplings through an intermediate charge transfer state. We derive a simple expression for the spin polarization that predicts a non-monotonic temperature dependence consistent with recent experiments. We validate this theory using approximate quantum master equations and the numerically exact hierarchical equations of motion. The proposed mechanism of chirality induced spin selectivity should apply to many chiral systems, and the ideas presented here have implications for the study of spin transport at temperatures relevant to biology, and provide simple principles for the molecular control of spins in fluctuating environments.

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• Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method
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• Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach
• Towards Quantum Sensing of Chiral-Induced Spin Selectivity: Probing Donor-Bridge-Acceptor Molecules with NV Centers in Diamond
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• The Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics
• Mind the Gap: From Resolving Theoretical Foundations of Chiral(ity)-Induced Spin Selectivity to Pioneering Implementations in Quantum Sensing
• Should it really be that hard to model the chirality induced spin selectivity effect?
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• Spinterface-like mechanism of the chirality-induced spin selectivity in donor chiral-bridge acceptor complexes
• The temperature-dependent chiral-induced spin selectivity effect: Experiments and theory