September 16, 2024The Journal of Chemical Physics

Chiral spin selectivity and chiroptical activity in helical molecules

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Authors

SVSolmar VarelaMax Bergmann Zentrum für Biomaterialien RGRafael GutiérrezWorcester Polytechnic Institute GCGianaurelio CunibertiMax Bergmann Zentrum für Biomaterialien

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Implication

Theoretical study demonstrates intrinsic chiral spin selectivity and chiroptical activity in helical molecules, highlighting fundamental mechanisms driving spin-dependent electron transfer.

Key Points

Intrinsic chiral spin selectivity emerges from spatial inversion symmetry breaking and spin orbit coupling, producing distinct spin signatures in molecular chiroptical activity.
Atomic spin orbit coupling on the meV scale governs the spin-dependent polarization rotation power, which is directly quantified through the Rosenfeld tensor formulation.
Derivation of electronic coupling with polarized electromagnetic radiation incorporates molecular decoherence, effectively capturing reciprocity breaking in helical molecules.
May enable improved separation of racemic mixtures and surface magnetic interactions, while supporting recent spectroscopic observations of standalone chiral spin selectivity.

Cite This Study

Varela et al. (2024) studied this question.

synapsesocial.com/papers/68e58475b6db64358752145a https://doi.org/10.1063/5.0227365

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Implication

Theoretical study demonstrates intrinsic chiral spin selectivity and chiroptical activity in helical molecules, highlighting fundamental mechanisms driving spin-dependent electron transfer.

Chiral spin selectivity and chiroptical activity in helical molecules

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Key Points

Cite This Study

Chiral spin selectivity and chiroptical activity in helical molecules

Discussion

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Implication

Key Points

Cite This Study

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