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Trapped Ion Quantum Computing Quantum Chemistry

Antisymmetric Couplings Enable Direct Observation of Chirality in Nuclear Magnetic Resonance Spectroscopy

arXiv
Authors: Jonathan P. King, Tobias F. Sjolander, John W. Blanchard

Year

2016

Paper ID

43841

Status

Preprint

Abstract Read

~2 min

Abstract Words

113

Citations

N/A

Abstract

Here we demonstrate that a term in the nuclear spin Hamiltonian, the antisymmetric J-coupling, is fundamentally connected to molecular chirality. We propose and simulate a nuclear magnetic resonance (NMR) experiment to observe this interaction and differentiate between enantiomers without adding any additional chiral agent to the sample. The antisymmetric J-coupling may be observed in the presence of molecular orientation by an external electric field. The opposite parity of the antisymmetric coupling tensor and the molecular electric dipole moment yields a sign change of the observed coupling between enantiomers. We show how this sign change influences the phase of the NMR spectrum and may be used to discriminate between enantiomers.

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  • Here we demonstrate that a term in the nuclear spin Hamiltonian, the antisymmetric J-coupling, is fundamentally connected to molecular chirality.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:1609.00406 [2] arXiv https://arxiv.org/abs/1609.00406 [3] Publisher https://arxiv.org/abs/1609.00406

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