Chapter 9: Magnetochiral Dichroism in Nuclear Magnetic Resonance: Traveling Wave Enantioselective NMR Check Access
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Published:20 Sep 2024
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Special Collection: 2024 eBook CollectionSeries: New Developments in NMR
M. Donaire and G. L. J. A. Rikken, in Physical Principles of Chirality in NMR, ed. P. Garbacz, Royal Society of Chemistry, 2024, vol. 34, ch. 9, pp. 243-262.
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Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for probing the electronic and nuclear structure surrounding a spin-carrying nucleus. Contrary to the established paradigm that NMR is insensitive to chirality, we show that, because of magneto-chiral anisotropy, NMR in a traveling-wave configuration is intrinsically sensitive to chirality and can differentiate between the two enantiomers of a chiral compound without the need for any auxiliary agents. We compute the NMR magneto-chiral anisotropy factor gT associated with the nuclear spin transition induced by a traveling radio-frequency wave. We formulate gT in terms of the parameters of two Hamiltonian models, one for diamagnetic and the other for paramagnetic chiral compounds. We also present a macroscopic model that establishes a relationship between gT and the magnetochiral birefringence. In addition, for paramagnetic complexes, we relate gT in NMR to its counterpart in electronic paramagnetic resonance. Quantitative estimates are given and we propose experimental setups to observe the predicted effect.