Articles | Volume 2, issue 1
https://doi.org/10.5194/mr-2-499-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-2-499-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
01 Jul 2021
Research article |
| 01 Jul 2021
| 01 Jul 2021
Residual dipolar line width in magic-angle spinning proton solid-state NMR
Matías Chávez
Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Thomas Wiegand
Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Alexander A. Malär
Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
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Cited
26 citations as recorded by crossref.
- Probing Noncovalent Interactions by Fast Magic‐Angle Spinning NMR at 100 kHz and More N. Schröder et al. https://doi.org/10.1002/cphc.202400537
- Elimination of homogeneous broadening in 1H solid-state NMR F. Perras https://doi.org/10.1039/D4CC02191F
- Removal of Homogeneous Broadening from 1H-Detected Multidimensional Solid-State NMR Spectra F. Perras et al. https://doi.org/10.1021/acs.analchem.4c06696
- The influence of fluorine spin-diffusion on 13C solid-state NMR line shapes of CF3 groups E. Bartalucci et al. https://doi.org/10.1039/D5CP00275C
- Multinuclear NMR and MRI Beyond Proton Imaging: Principles, Contrast Mechanisms, and Applications in Materials and Biomedicine D. Bartusik-Aebisher et al. https://doi.org/10.3390/ijms27104384
- Refined Structures of O-Phospho-l-serine and Its Calcium Salt by New Multinuclear Solid-State NMR Crystallography Methods R. Mathew et al. https://doi.org/10.1021/acs.jpcb.1c05587
- Pure Isotropic Proton NMR Spectra in Solids using Deep Learning M. Cordova et al. https://doi.org/10.1002/ange.202216607
- Reducing the effects of weak homonuclear dipolar coupling with CPMG pulse sequences for static and spinning solids A. Altenhof et al. https://doi.org/10.1016/j.jmr.2022.107174
- Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO2 adsorption S. Ghojavand et al. https://doi.org/10.1038/s42004-023-00918-1
- High and fast: NMR protein–proton side-chain assignments at 160 kHz and 1.2 GHz M. Callon et al. https://doi.org/10.1039/D3SC03539E
- Fast Magic‐Angle‐Spinning NMR Reveals the Evasive Hepatitis B Virus Capsid C‐Terminal Domain** M. Callon et al. https://doi.org/10.1002/ange.202201083
- From overlap to resolution: Cellular solid-state NMR at ultrahigh-field 1.5 GHz demonstrated on fungal cell walls M. Dickwella Widanage et al. https://doi.org/10.1016/j.ssnmr.2026.102075
- Pure Isotropic Proton NMR Spectra in Solids using Deep Learning M. Cordova et al. https://doi.org/10.1002/anie.202216607
- Two‐dimensional Pure Isotropic Proton Solid State NMR P. Moutzouri et al. https://doi.org/10.1002/anie.202301963
- Ultrafast Magic Angle Spinning Solid-State NMR Spectroscopy: Advances in Methodology and Applications Y. Nishiyama et al. https://doi.org/10.1021/acs.chemrev.2c00197
- Field and magic angle spinning frequency dependence of proton resonances in rotating solids K. Xue et al. https://doi.org/10.1016/j.pnmrs.2022.04.001
- Fast Magic‐Angle‐Spinning NMR Reveals the Evasive Hepatitis B Virus Capsid C‐Terminal Domain** M. Callon et al. https://doi.org/10.1002/anie.202201083
- MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments A. Vallet et al. https://doi.org/10.1016/j.jmr.2024.107708
- Proton-phosphorous connectivities revealed by high-resolution proton-detected solid-state NMR A. Malär et al. https://doi.org/10.1039/D2CP00616B
- Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory T. Gräßer & G. Uhrig https://doi.org/10.21468/SciPostPhys.20.2.031
- Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy D. Torodii et al. https://doi.org/10.1038/s41467-024-55126-9
- Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) of zwitterionic organic HCl salts C. Fleischer et al. https://doi.org/10.1039/D5CE00899A
- Collecting Large Datasets of Unambiguous Structural Restraints for Protein Structure Determination by 4D Proton‐Detected Solid‐State NMR V. Chevelkov et al. https://doi.org/10.1002/cphc.202500820
- Solid-State NMR: Methods for Biological Solids S. Ahlawat et al. https://doi.org/10.1021/acs.chemrev.1c00852
- Multiple acquisitions in a single scan: exhausting abundant 1H polarization at fast MAS Z. Yan & R. Zhang https://doi.org/10.1016/j.jmr.2022.107338
- Two‐dimensional Pure Isotropic Proton Solid State NMR P. Moutzouri et al. https://doi.org/10.1002/ange.202301963
26 citations as recorded by crossref.
- Probing Noncovalent Interactions by Fast Magic‐Angle Spinning NMR at 100 kHz and More N. Schröder et al. https://doi.org/10.1002/cphc.202400537
- Elimination of homogeneous broadening in 1H solid-state NMR F. Perras https://doi.org/10.1039/D4CC02191F
- Removal of Homogeneous Broadening from 1H-Detected Multidimensional Solid-State NMR Spectra F. Perras et al. https://doi.org/10.1021/acs.analchem.4c06696
- The influence of fluorine spin-diffusion on 13C solid-state NMR line shapes of CF3 groups E. Bartalucci et al. https://doi.org/10.1039/D5CP00275C
- Multinuclear NMR and MRI Beyond Proton Imaging: Principles, Contrast Mechanisms, and Applications in Materials and Biomedicine D. Bartusik-Aebisher et al. https://doi.org/10.3390/ijms27104384
- Refined Structures of O-Phospho-l-serine and Its Calcium Salt by New Multinuclear Solid-State NMR Crystallography Methods R. Mathew et al. https://doi.org/10.1021/acs.jpcb.1c05587
- Pure Isotropic Proton NMR Spectra in Solids using Deep Learning M. Cordova et al. https://doi.org/10.1002/ange.202216607
- Reducing the effects of weak homonuclear dipolar coupling with CPMG pulse sequences for static and spinning solids A. Altenhof et al. https://doi.org/10.1016/j.jmr.2022.107174
- Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO2 adsorption S. Ghojavand et al. https://doi.org/10.1038/s42004-023-00918-1
- High and fast: NMR protein–proton side-chain assignments at 160 kHz and 1.2 GHz M. Callon et al. https://doi.org/10.1039/D3SC03539E
- Fast Magic‐Angle‐Spinning NMR Reveals the Evasive Hepatitis B Virus Capsid C‐Terminal Domain** M. Callon et al. https://doi.org/10.1002/ange.202201083
- From overlap to resolution: Cellular solid-state NMR at ultrahigh-field 1.5 GHz demonstrated on fungal cell walls M. Dickwella Widanage et al. https://doi.org/10.1016/j.ssnmr.2026.102075
- Pure Isotropic Proton NMR Spectra in Solids using Deep Learning M. Cordova et al. https://doi.org/10.1002/anie.202216607
- Two‐dimensional Pure Isotropic Proton Solid State NMR P. Moutzouri et al. https://doi.org/10.1002/anie.202301963
- Ultrafast Magic Angle Spinning Solid-State NMR Spectroscopy: Advances in Methodology and Applications Y. Nishiyama et al. https://doi.org/10.1021/acs.chemrev.2c00197
- Field and magic angle spinning frequency dependence of proton resonances in rotating solids K. Xue et al. https://doi.org/10.1016/j.pnmrs.2022.04.001
- Fast Magic‐Angle‐Spinning NMR Reveals the Evasive Hepatitis B Virus Capsid C‐Terminal Domain** M. Callon et al. https://doi.org/10.1002/anie.202201083
- MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments A. Vallet et al. https://doi.org/10.1016/j.jmr.2024.107708
- Proton-phosphorous connectivities revealed by high-resolution proton-detected solid-state NMR A. Malär et al. https://doi.org/10.1039/D2CP00616B
- Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory T. Gräßer & G. Uhrig https://doi.org/10.21468/SciPostPhys.20.2.031
- Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy D. Torodii et al. https://doi.org/10.1038/s41467-024-55126-9
- Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) of zwitterionic organic HCl salts C. Fleischer et al. https://doi.org/10.1039/D5CE00899A
- Collecting Large Datasets of Unambiguous Structural Restraints for Protein Structure Determination by 4D Proton‐Detected Solid‐State NMR V. Chevelkov et al. https://doi.org/10.1002/cphc.202500820
- Solid-State NMR: Methods for Biological Solids S. Ahlawat et al. https://doi.org/10.1021/acs.chemrev.1c00852
- Multiple acquisitions in a single scan: exhausting abundant 1H polarization at fast MAS Z. Yan & R. Zhang https://doi.org/10.1016/j.jmr.2022.107338
- Two‐dimensional Pure Isotropic Proton Solid State NMR P. Moutzouri et al. https://doi.org/10.1002/ange.202301963
Saved (final revised paper)
Latest update: 01 Jun 2026
Short summary
Sample rotation around the magic angle averages out the dipolar couplings in homonuclear spin systems in a first-order approximation. However, in higher orders, residual coupling terms remain and lead to a broadening of the spectral lines. We investigate the source of this broadening and the effects on the powder line shape in small spin systems with and without chemical shifts. We show that one can expect different scaling behavior as a function of the spinning frequency for the two cases.
Sample rotation around the magic angle averages out the dipolar couplings in homonuclear spin...
