05 Dec 2025
| 05 Dec 2025
Status: this preprint is currently under review for the journal MR.
The Origin of Mirror Symmetry in High-Resolution NMR Spectra
Abstract. A correlation between the symmetry of NMR spectra, including higher-order spectra, and the properties of the spin system has been established. It is shown that for a spectrum to be symmetric about the mid-resonance frequency (ν0), two conditions must be satisfied: the resonant frequencies of the spins must be symmetrically positioned about ν0, and the J‑coupling matrix must be symmetric about the secondary diagonal. The results were validated by calculating theoretical spectra for 3-, 4-, 5-, and 6-spin systems.
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