The origin of mirror symmetry in high-resolution nuclear magnetic resonance spectra
Abstract
A connection between the symmetry of high-field nuclear magnetic resonance (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 ( ν 0 ), two conditions must be satisfied: (1) the resonance frequencies of the spins must be symmetrically positioned about ν 0 , and (2) there must exist at least one spin ordering with a monotonic increase (or decrease) in resonance frequencies such that the spectrum is invariant under the reflection of the J -coupling matrix about its anti-diagonal (one way to satisfy this condition is for the J -coupling matrix to be explicitly persymmetric). The results were validated by calculating theoretical spectra for three-, four-, five-, and six-spin systems.
Fields of Study & Subjects
Advanced NMR Techniques and Applications
NMR spectroscopy and applications
Advanced MRI Techniques and Applications
Publication details
- Journal / source
- Magnetic Resonance
- Publisher
- Copernicus GmbH
- Volume
- 7
- Issue
- 1
- Pages
- 15–20
- Publication date
- 11 March 2026
- Language
- EN