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

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• 作者：Jonathan P. KingTobias F. Sjolander ; John W. Blanchard
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2017
• 出版时间：February 16, 2017
• 年：2017
• 卷：8
• 期：4
• 页码：710-714
• 全文大小：368K
• ISSN：1948-7185

文摘

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.