Isotopic Identification of Quadrupolar Spin Resonance Lines by Zeeman Perturbation

2025/08/19 by Alireza Nari, Patrick M. J. Szell, David L. Bryce · 1 voice · 1 citation
Chemistry · Medicine · Physics and Astronomy · #Advanced MRI Techniques and Applications #Advanced NMR Techniques and Applications #Atomic and Subatomic Physics Research

paper · doi:10.1021/acs.jpclett.5c02214

openalex publication_date 2025/08/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Quadrupolar spin resonance (QSR) is radio frequency spectroscopy that provides a chemical fingerprint in the absence of a magnetic field. Materials may present QSR spectra featuring multiple overlapping isotopic resonances, leading to ambiguous spectral assignments. We show how the application of a weak magnetic field (≤50 mT) enables measurement of the nuclear gyromagnetic ratio associated with each resonance with sufficient precision for isotopic identification. The method is demonstrated on pure and impure powdered samples, and the concept of multisite multinuclear QSR spectral fitting is introduced. New insights are thereby gained into the sensitivity of the Zeeman-QSR response and the characterization of complex samples. This approach creates new opportunities in QSR spectroscopy and provides a sustainable cryogen-free alternative to helium-cooled superconducting magnets associated with high-field NMR.

Citations

• <i>OLEX2</i>: a complete structure solution, refinement and analysis program
• CODATA recommended values of the fundamental physical constants: 2018
• Halogen Bond Strength in Solids Quantified via Zeeman-Perturbed Nuclear Quadrupole Resonance Spectroscopy
• Pushing Limits of Ultra-wideline Solid-State NMR Spectroscopy: NMR Signatures of ²⁰⁹Bi and ¹²⁷I in Metal–Organic Frameworks at Ultra-high Magnetic Fields
• Practical aspects of Zeeman-perturbed NQR spectroscopy using an adjustable electromagnet

Cited by

• Solid-state NMR characterization of weak interactions in molecular crystals

Discussions

• New paper out : "Isotopic Identification of Quadrupolar Spin Resonance Lines by Zeeman Perturbation" #NMRchat doi.org/10.1021/acs.... [bsky, 5 points, 0 comments]

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