Phase-sensitive multidimensional NMR with CPMG detection

Nuclear magnetic resonance (NMR) spectra are often complicated by overlapping signals from heterogeneous interactions. Multidimensional NMR is used to separate signals from different interactions and improve resolution. If the heterogeneous interactions are refocusable, windowed Carr-Purcell-Meiboom-Gill (CPMG) detection can provide signal enhancement; however, it has previously not been straightforward to combine multidimensional NMR with windowed CPMG detection, particularly when split-t1 or delayed acquisition is used. Here, we use generalized hypercomplex acquisition schemes to restore valid phase encoding. It is not necessary to control (or even consider) the details of coherence scrambling during CPMG pulse trains. Instead, it is sufficient to treat 2D NMR experiments with CPMG detection as if they were phase-sensitive 3D experiments. Our schemes are not unique; other phase-cycling schemes can yield equivalent results. Nevertheless, our algorithms are general and may be applied without rewriting the base phase cycle of the pulse sequence. We highlight two examples: (1) removal of heterogeneous broadening from water-exchange experiments in a nonuniform field and (2) I = 3/2 87Rb 3QMAS CPMG of RbNO3.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-05-11
DOI
https://doi.org/10.1063/5.0326034
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
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article

Phase-sensitive multidimensional NMR with CPMG detection

Brennan J. Walder, Keith J. Fritzsching
The Journal of Chemical Physics
Advanced NMR Techniques and Applications
article

Phase-sensitive multidimensional NMR with CPMG detection

Brennan J. Walder, Keith J. Fritzsching
article en

Abstract

Nuclear magnetic resonance (NMR) spectra are often complicated by overlapping signals from heterogeneous interactions. Multidimensional NMR is used to separate signals from different interactions and improve resolution. If the heterogeneous interactions are refocusable, windowed Carr-Purcell-Meiboom-Gill (CPMG) detection can provide signal enhancement; however, it has previously not been straightforward to combine multidimensional NMR with windowed CPMG detection, particularly when split-t1 or delayed acquisition is used. Here, we use generalized hypercomplex acquisition schemes to restore valid phase encoding. It is not necessary to control (or even consider) the details of coherence scrambling during CPMG pulse trains. Instead, it is sufficient to treat 2D NMR experiments with CPMG detection as if they were phase-sensitive 3D experiments. Our schemes are not unique; other phase-cycling schemes can yield equivalent results. Nevertheless, our algorithms are general and may be applied without rewriting the base phase cycle of the pulse sequence. We highlight two examples: (1) removal of heterogeneous broadening from water-exchange experiments in a nonuniform field and (2) I = 3/2 87Rb 3QMAS CPMG of RbNO3.

The Journal of Chemical PhysicsVol. 164(18)
Sandia National Laboratories California (US), Sandia National Laboratories (US)
Clean water and sanitation
Openalex Percentile: Top 11%
Advanced NMR Techniques and Applications
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Phase-sensitive multidimensional NMR with CPMG detection — Brennan J. Walder, Keith J. Fritzsching · The Journal of Chemical Physics (2026) | TGRS Research Map | TGRS