Ultrabroadband 1D and 2D NMR Spectroscopy

The chemical shift range of many NMR-active isotopes cannot be excited in a single experiment by classical hard pulse high-resolution spectroscopy or even conventional broadband excitation. Such nuclei can be addressed by specifically optimized saturation pulses or xy-excitation, which are derived from linear frequency sweeps that are further optimized using methods derived from optimal control theory. A multi-isotope 1D experiment covering 6 MHz as well as homonuclear COSY and heteronuclear HMBC experiments covering more than 100 kHz are demonstrated, which can be adapted to fit any needs for specific isotopes at any spectrometer field. In general, the approach is very useful for 1D and 2D absolute value overview spectra at high magnetic fields and/or wideband and low-gamma nuclei.

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Publication Details

Journal
Angewandte Chemie International Edition
Published
2025-11-27
DOI
https://doi.org/10.1002/anie.202515467
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Ultrabroadband 1D and 2D NMR Spectroscopy

Sebastian Ehni, Benjamin Görling, Jörg Eppinger, Angelika Seliwjorstow et al.
Angewandte Chemie International Edition
Advanced NMR Techniques and Applications
article

Ultrabroadband 1D and 2D NMR Spectroscopy

Sebastian Ehni, Benjamin Görling, Jörg Eppinger, Angelika Seliwjorstow, Steffen J. Glaser, Zbigniew Pianowski, Peter W. Roesky, Kyryl Kobzar, Franz Schilling, Burkhard Luy, Stefan Bräse, Yannik T. Woordes
article en

Abstract

The chemical shift range of many NMR-active isotopes cannot be excited in a single experiment by classical hard pulse high-resolution spectroscopy or even conventional broadband excitation. Such nuclei can be addressed by specifically optimized saturation pulses or xy-excitation, which are derived from linear frequency sweeps that are further optimized using methods derived from optimal control theory. A multi-isotope 1D experiment covering 6 MHz as well as homonuclear COSY and heteronuclear HMBC experiments covering more than 100 kHz are demonstrated, which can be adapted to fit any needs for specific isotopes at any spectrometer field. In general, the approach is very useful for 1D and 2D absolute value overview spectra at high magnetic fields and/or wideband and low-gamma nuclei.

Angewandte Chemie International EditionVol. 65(2)
Karlsruhe Institute of Technology (DE), Munich University of Applied Sciences (DE), Bruker (United States) (US), Bruker (Switzerland) (CH), Technical University of Munich (DE), King Abdullah University of Science and Technology (SA)
Evonik Stiftung, Deutsche Forschungsgemeinschaft
Openalex Percentile: Top 66%
Advanced NMR Techniques and Applications
DOIOpen Access PDFOpenAlex
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Ultrabroadband 1D and 2D NMR Spectroscopy — Sebastian Ehni, Benjamin Görling, et al. · Angewandte Chemie International Edition (2025) | TGRS Research Map | TGRS