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Zero-field J-spectroscopy of quadrupolar nuclei

Author

Listed:
  • Román Picazo-Frutos

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH)

  • Kirill F. Sheberstov

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH
    PSL University)

  • John W. Blanchard

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH
    University of Maryland)

  • Erik Dyke

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH)

  • Moritz Reh

    (University of California—Berkeley
    Universität Heidelberg, Im Neuenheimer Feld 227)

  • Tobias Sjoelander

    (University of Basel
    University of California
    Lawrence Berkeley National Laboratory)

  • Alexander Pines

    (University of California
    Lawrence Berkeley National Laboratory)

  • Dmitry Budker

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH
    University of California—Berkeley)

  • Danila A. Barskiy

    (Helmholtz-Institut Mainz
    Johannes Gutenberg-Universität Mainz
    GSI Helmholtzzentrum für Schwerionenforschung GmbH
    University of California)

Abstract

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) allows molecular structure elucidation via measurement of electron-mediated spin-spin J-couplings. This study examines zero-field J-spectra from molecules with quadrupolar nuclei, exemplified by solutions of various isotopologues of ammonium cations. The spectra reveal differences between various isotopologues upon extracting precise J-coupling values from pulse-acquire measurements. A primary isotope effect, $$\triangle J=\left({\gamma }_{{}^{14}{{{{{\rm{N}}}}}}}/{\gamma }_{{}^{15}{{{{{\rm{N}}}}}}}\right){J}_{{}^{15}{{{{{\rm{N}}}}}}{{{{{\rm{H}}}}}}}-{J}_{{}^{14}{{{{{\rm{N}}}}}}{{{{{\rm{H}}}}}}}\approx -58$$ △ J = γ 14 N / γ 15 N J 15 N H − J 14 N H ≈ − 58 mHz, is deduced by analysis of the proton-nitrogen J-coupling ratios. This study points toward further experiments with symmetric cations containing quadrupolar nuclei, promising applications in biomedicine, energy storage, and benchmarking quantum chemistry calculations.

Suggested Citation

  • Román Picazo-Frutos & Kirill F. Sheberstov & John W. Blanchard & Erik Dyke & Moritz Reh & Tobias Sjoelander & Alexander Pines & Dmitry Budker & Danila A. Barskiy, 2024. "Zero-field J-spectroscopy of quadrupolar nuclei," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-48390-2
    DOI: 10.1038/s41467-024-48390-2
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    References listed on IDEAS

    as
    1. Andrew J. Ilott & Nicole M. Trease & Clare P. Grey & Alexej Jerschow, 2014. "Multinuclear in situ magnetic resonance imaging of electrochemical double-layer capacitors," Nature Communications, Nature, vol. 5(1), pages 1-6, December.
    2. Danila A. Barskiy & Michael C. D. Tayler & Irene Marco-Rius & John Kurhanewicz & Daniel B. Vigneron & Sevil Cikrikci & Ayca Aydogdu & Moritz Reh & Andrey N. Pravdivtsev & Jan-Bernd Hövener & John W. B, 2019. "Zero-field nuclear magnetic resonance of chemically exchanging systems," Nature Communications, Nature, vol. 10(1), pages 1-9, December.
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