ResearchGateEnantiospecificity in NMR enabled bychirality-induced spin selectivity
Nature Communications (2024).
T. Georgiou, J. L. Palma, V. Mujica, S. Varela, M. Galante, V. J. Santamaría-García, L. Mboning, R. N. Schwartz, G. Cuniberti & L.-S. Bouchard.
Journal DOI: https://doi.org/10.1038/s41467-024-49966-8

Spin polarization in chiral molecules is a magnetic molecular response asso-ciated with electron transport and enantioselective bond polarization thatoccurs even in the absence of an external magnetic field. An unexpectedfinding by Santos and co-workers reported enantiospecific NMR responses insolid-state cross-polarization (CP) experiments, suggesting a possible addi-tional contribution to the indirect nuclear spin-spin coupling in chiral mole-cules induced by bond polarization in the presence of spin-orbit coupling.Herein we provide a theoretical treatment for this phenomenon, presenting aneffective spin-Hamiltonian for helical molecules like DNA and density func-tional theory (DFT) results on amino acids that confirm the dependence ofJ-couplings on the choice of enantiomer. The connection between nuclear spindynamics and chirality could offer insights for molecular sensing and quantuminformation sciences. These results establish NMR as a potential tool for chiraldiscrimination without external agents.

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ResearchGateEnantiospecificity in NMR enabled bychirality-induced spin selectivity
Nature Communications (2024).
T. Georgiou, J. L. Palma, V. Mujica, S. Varela, M. Galante, V. J. Santamaría-García, L. Mboning, R. N. Schwartz, G. Cuniberti & L.-S. Bouchard.
Journal DOI: https://doi.org/10.1038/s41467-024-49966-8

Spin polarization in chiral molecules is a magnetic molecular response asso-ciated with electron transport and enantioselective bond polarization thatoccurs even in the absence of an external magnetic field. An unexpectedfinding by Santos and co-workers reported enantiospecific NMR responses insolid-state cross-polarization (CP) experiments, suggesting a possible addi-tional contribution to the indirect nuclear spin-spin coupling in chiral mole-cules induced by bond polarization in the presence of spin-orbit coupling.Herein we provide a theoretical treatment for this phenomenon, presenting aneffective spin-Hamiltonian for helical molecules like DNA and density func-tional theory (DFT) results on amino acids that confirm the dependence ofJ-couplings on the choice of enantiomer. The connection between nuclear spindynamics and chirality could offer insights for molecular sensing and quantuminformation sciences. These results establish NMR as a potential tool for chiraldiscrimination without external agents.

Get PDF from journal website
Cover
©https://doi.org/10.1038/s41467-024-49966-8
Share


Involved Scientists