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Zero-field J-spectroscopy of quadrupolar nuclei.
Picazo-Frutos, Román; Sheberstov, Kirill F; Blanchard, John W; Van Dyke, Erik; Reh, Moritz; Sjoelander, Tobias; Pines, Alexander; Budker, Dmitry; Barskiy, Danila A.
Afiliação
  • Picazo-Frutos R; Helmholtz-Institut Mainz, 55099, Mainz, Germany.
  • Sheberstov KF; Institute of Physics, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
  • Blanchard JW; GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291, Darmstadt, Germany.
  • Van Dyke E; Helmholtz-Institut Mainz, 55099, Mainz, Germany.
  • Reh M; Institute of Physics, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
  • Sjoelander T; GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291, Darmstadt, Germany.
  • Pines A; Department of Chemistry, École Normale Supérieure, PSL University, Paris, France.
  • Budker D; Helmholtz-Institut Mainz, 55099, Mainz, Germany.
  • Barskiy DA; Institute of Physics, Johannes Gutenberg-Universität Mainz, 55128, Mainz, Germany.
Nat Commun ; 15(1): 4487, 2024 May 27.
Article em En | MEDLINE | ID: mdl-38802356
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, △ 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.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Nat Commun Assunto da revista: BIOLOGIA / CIENCIA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Alemanha

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Nat Commun Assunto da revista: BIOLOGIA / CIENCIA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Alemanha