Mirror Symmetry of the NMR Spectrum and the Connection with the Structure of Spin Hamiltonian Matrix Representations

Fuente: arXiv
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Autores principales: Cheshkov, Dmitry A., Sinitsyn, Dmitry O.
Formato: Preprint
Publicado: 2026
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author Cheshkov, Dmitry A.
Sinitsyn, Dmitry O.
author_facet Cheshkov, Dmitry A.
Sinitsyn, Dmitry O.
contents This work provides a comprehensive theoretical framework for understanding the symmetry properties of High-Resolution NMR spectra. We analyze the conditions under which a spectrum exhibits mirror symmetry (palindromicity). We demonstrate that such symmetry can arise from two distinct mechanisms: (1) the direct geometric bisymmetry of the Hamiltonian matrix in a generalized canonical basis (typical for balanced systems like $A_nB_n$ or $A_nX_n$), and (2) a more fundamental property of topological isospectrality (similarity) under parameter exchange induced by the internal symmetry of the spin system, which applies even when the matrix lacks geometric symmetry (as observed in $AA'BB'$ systems).
format Preprint
id arxiv_https___arxiv_org_abs_2602_03871
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Mirror Symmetry of the NMR Spectrum and the Connection with the Structure of Spin Hamiltonian Matrix Representations
Cheshkov, Dmitry A.
Sinitsyn, Dmitry O.
Chemical Physics
This work provides a comprehensive theoretical framework for understanding the symmetry properties of High-Resolution NMR spectra. We analyze the conditions under which a spectrum exhibits mirror symmetry (palindromicity). We demonstrate that such symmetry can arise from two distinct mechanisms: (1) the direct geometric bisymmetry of the Hamiltonian matrix in a generalized canonical basis (typical for balanced systems like $A_nB_n$ or $A_nX_n$), and (2) a more fundamental property of topological isospectrality (similarity) under parameter exchange induced by the internal symmetry of the spin system, which applies even when the matrix lacks geometric symmetry (as observed in $AA'BB'$ systems).
title Mirror Symmetry of the NMR Spectrum and the Connection with the Structure of Spin Hamiltonian Matrix Representations
topic Chemical Physics
url https://arxiv.org/abs/2602.03871