Single-Crystal NMR Spectroscopy of Spin I=3: 10B-NMR of Hambergite, Be2BO3OH

A monocrystal of the natural mineral hambergite, Be2BO3OH, is studied by 10B-NMR spectroscopy. The nuclide 10B possesses spin I=3, and thus for a single boron site in a periodic solid, the 10B spectrum is composed of three doublets. For the four inversion-related pairs of boron sites existing in the crystal structure of hambergite, orientation-dependent 10B spectra are recorded and both the chemical shift and electrical field gradient (EFG) tensor are extracted. The resulting numerical values are in very good agreement with a previous 11B-NMR study of the same sample. Comparing the line widths of the NMR resonances of 11B against 10B, the concept of inherently better resolution being available from 10B due to the scaling down of dipolar interactions is confirmed.

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Publication Details

Journal
Molecules
Published
2026-07-22
DOI
https://doi.org/10.3390/molecules31142554
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
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article

Single-Crystal NMR Spectroscopy of Spin I=3: 10B-NMR of Hambergite, Be2BO3OH

Thomas Bräuniger, Jennifer Steinadler, Christian Minke
Molecules
Advanced NMR Techniques and Applications
article

Single-Crystal NMR Spectroscopy of Spin I=3: 10B-NMR of Hambergite, Be2BO3OH

Thomas Bräuniger, Jennifer Steinadler, Christian Minke
article en

Abstract

A monocrystal of the natural mineral hambergite, Be2BO3OH, is studied by 10B-NMR spectroscopy. The nuclide 10B possesses spin I=3, and thus for a single boron site in a periodic solid, the 10B spectrum is composed of three doublets. For the four inversion-related pairs of boron sites existing in the crystal structure of hambergite, orientation-dependent 10B spectra are recorded and both the chemical shift and electrical field gradient (EFG) tensor are extracted. The resulting numerical values are in very good agreement with a previous 11B-NMR study of the same sample. Comparing the line widths of the NMR resonances of 11B against 10B, the concept of inherently better resolution being available from 10B due to the scaling down of dipolar interactions is confirmed.

MoleculesVol. 31(14)
Ludwig-Maximilians-Universität München (DE)
Openalex Percentile: Top 16%
Advanced NMR Techniques and Applications
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